NP-MRD: Showing NP-Card for methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate (NP0149358)

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Record Information

Version

2.0

Created at

2022-09-02 05:13:59 UTC

Updated at

2022-09-02 05:13:59 UTC

NP-MRD ID

NP0149358

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate

Description

Methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methyl-phenoxy)-5-methoxy-benzoate belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate is found in Rhizophora apiculata. Based on a literature review very few articles have been published on methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methyl-phenoxy)-5-methoxy-benzoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 39  0  0  0  0  0  0  0  0999 V2000
   -2.4695   -3.6955   -0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5098   -2.3114   -0.4755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4788   -1.4469   -0.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -1.9436   -1.5701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5174   -0.0320   -0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6482    0.4587    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882    1.7832    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9031    2.2109    1.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9755    1.4155    1.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7728    2.6365    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598    4.3662    0.5068 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479    2.1798   -0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497    3.0641   -0.8813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5033    0.8243   -0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262    0.3693   -1.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.1945   -0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1565   -0.8779   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -1.0653    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443   -2.2642    1.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3549   -0.1091    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    0.9849   -0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1238    1.9364   -0.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740    1.1495   -1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4087   -4.1499   -0.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5893   -4.1976   -0.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4618   -3.8107   -1.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4094   -0.2722    0.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6339    1.1068    0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5363    0.4565    1.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5580    1.8504    2.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447    4.0335   -0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4303   -1.6527    0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271   -2.8520    1.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4404   -2.8530    0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -1.9931    2.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3289   -0.2305    0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294    2.7391   -1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888    1.9974   -1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 14  5  1  0
 23 16  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  9 28  1  0
  9 29  1  0
  9 30  1  0
 13 31  1  0
 17 32  1  0
 19 33  1  0
 19 34  1  0
 19 35  1  0
 20 36  1  0
 22 37  1  0
 23 38  1  0
M  END


  Mrv1652309022207142D          

 23 24  0  0  0  0            999 V2000
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0149358

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CC(OC)=C(Cl)C(O)=C1OC1=CC(C)=CC(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H15ClO6/c1-8-4-9(18)6-10(5-8)23-15-11(16(20)22-3)7-12(21-2)13(17)14(15)19/h4-7,18-19H,1-3H3

> <INCHI_KEY>
FNPOHLRKVIRQFJ-UHFFFAOYSA-N

> <FORMULA>
C16H15ClO6

> <MOLECULAR_WEIGHT>
338.74

> <EXACT_MASS>
338.0557159

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
32.51436028154198

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate

> <ALOGPS_LOGP>
3.54

> <JCHEM_LOGP>
3.8296741196666666

> <ALOGPS_LOGS>
-4.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.2232647305289

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.860974842312314

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7420271724401535

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
84.5951

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.79e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   11 Cl   UNK     0       4.001  -6.930   0.000  0.00  0.00          Cl+0
HETATM   12  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   14                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    5   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   16                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
Methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methyl-phenoxy)-5-methoxy-benzoic acid	Generator

Chemical Formula

C₁₆H₁₅ClO₆

Average Mass

338.7400 Da

Monoisotopic Mass

338.05572 Da

IUPAC Name

methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate

Traditional Name

methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CC(OC)=C(Cl)C(O)=C1OC1=CC(C)=CC(O)=C1

InChI Identifier

InChI=1S/C16H15ClO6/c1-8-4-9(18)6-10(5-8)23-15-11(16(20)22-3)7-12(21-2)13(17)14(15)19/h4-7,18-19H,1-3H3

InChI Key

FNPOHLRKVIRQFJ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Rhizophora apiculata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylethers

Direct Parent

Diphenylethers

Alternative Parents

Substituents

Diphenylether
Diaryl ether
M-hydroxybenzoic acid ester
M-methoxybenzoic acid or derivatives
Methoxyphenol
Benzoate ester
4-halobenzoic acid or derivatives
Halobenzoic acid or derivatives
Benzoic acid or derivatives
Methoxybenzene
Anisole
2-halophenol
M-cresol
Phenoxy compound
2-chlorophenol
Phenol ether
Benzoyl
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Chlorobenzene
Phenol
Toluene
Halobenzene
1-hydroxy-4-unsubstituted benzenoid
Aryl chloride
Aryl halide
Methyl ester
Carboxylic acid ester
Carboxylic acid derivative
Ether
Organohalogen compound
Organochloride
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.54	ALOGPS
logP	3.83	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	6.86	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	84.6 m³·mol⁻¹	ChemAxon
Polarizability	32.51 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

29214643

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

57342095

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate (NP0149358)

MOL for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

3D MOL for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

3D SDF for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

3D-SDF for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

PDB for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

3D PDB for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

SMILES for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

INCHI for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

Structure for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)

3D Structure for NP0149358 (methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate)