Record Information |
---|
Version | 2.0 |
---|
Created at | 2024-07-05 18:50:33 UTC |
---|
Updated at | 2024-09-03 04:22:57 UTC |
---|
NP-MRD ID | NP0333569 |
---|
Natural Product DOI | https://doi.org/10.57994/3042 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 2-Phenyl-1-propanol |
---|
Description | 2-Phenyl-1-propanol belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 2-Phenyl-1-propanol was first documented in 2012 (PMID: 22055107). Based on a literature review a small amount of articles have been published on 2-Phenyl-1-propanol (PMID: 29654471) (PMID: 26606894) (PMID: 22305539). |
---|
Structure | InChI=1/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C9H12O |
---|
Average Mass | 136.1940 Da |
---|
Monoisotopic Mass | 136.08882 Da |
---|
IUPAC Name | 2-phenylpropan-1-ol |
---|
Traditional Name | 2-phenylpropanol-1 |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(CO)C1=CC=CC=C1 |
---|
InChI Identifier | InChI=1/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
---|
InChI Key | RNDNSYIPLPAXAZ-UHFFFAOYNA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | bgnzk@missouri.edu | Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-07-05 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | bgnzk@missouri.edu | Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-07-05 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | bgnzk@missouri.edu | Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-07-05 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, CD3OD, experimental) | bgnzk@missouri.edu | Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-07-05 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | bgnzk@missouri.edu | Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-07-05 | View Spectrum |
| Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
| Chemical Shift Submissions |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 1H NMR Spectrum (1D, 600, CD3OD, simulated) | bgnzk@missouri.edu | Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA | Dr. Bharat Goel | 2024-07-05 | View Spectrum |
| Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Benzene and substituted derivatives |
---|
Sub Class | Not Available |
---|
Direct Parent | Benzene and substituted derivatives |
---|
Alternative Parents | |
---|
Substituents | - Monocyclic benzene moiety
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- 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 | |
---|
General References | - Rocha-Martin J, Vega D, Bolivar JM, Hidalgo A, Berenguer J, Guisan JM, Lopez-Gallego F: Characterization and further stabilization of a new anti-prelog specific alcohol dehydrogenase from Thermus thermophilus HB27 for asymmetric reduction of carbonyl compounds. Bioresour Technol. 2012 Jan;103(1):343-50. doi: 10.1016/j.biortech.2011.10.018. Epub 2011 Oct 17. [PubMed:22055107 ]
- Cassidy J, Paradisi F: Haloquadratum walsbyi Yields a Versatile, NAD(+)/NADP(+) Dual Affinity, Thermostable, Alcohol Dehydrogenase (HwADH). Mol Biotechnol. 2018 Jun;60(6):420-426. doi: 10.1007/s12033-018-0083-6. [PubMed:29654471 ]
- Vazquez-Nakagawa M, Rodriguez-Perez L, Herranz MA, Martin N: Chirality transfer from graphene quantum dots. Chem Commun (Camb). 2016 Jan 14;52(4):665-8. doi: 10.1039/c5cc08890a. [PubMed:26606894 ]
- Yadav GD, Pawar SV: Synergism between microwave irradiation and enzyme catalysis in transesterification of ethyl-3-phenylpropanoate with n-butanol. Bioresour Technol. 2012 Apr;109:1-6. doi: 10.1016/j.biortech.2012.01.030. Epub 2012 Jan 16. [PubMed:22305539 ]
|
---|