2-Phenylpropanol-1
PubChem CID: 14295
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| Compound Synonyms | 2-Phenyl-1-propanol, 2-Phenylpropan-1-ol, 1123-85-9, Hydratropic alcohol, beta-Methylphenethyl alcohol, 2-phenylpropanol, 2-Phenylpropyl alcohol, Hydratropyl alcohol, 1-Hydroxy-2-phenylpropane, 2-Phenylpropanol-1, 1-Propanol, 2-phenyl-, Benzeneethanol, .beta.-methyl-, Benzeneethanol, beta-methyl-, beta-Methylbenzeneethanol, beta-Phenylpropyl alcohol, 2-Methyl-2-phenylethanol, Phenethyl alcohol, .beta.-methyl-, NSC 5232, FEMA No. 2732, alpha-Methyl phenylethyl alcohol, EINECS 214-379-7, 27ZYZ88DWU, BRN 1906760, (+/-)-2-Phenyl-1-propanol, DTXSID8037756, AI3-28634, 2-phenyl-propan-1-ol, NSC-5232, MFCD00004736, .beta.-Phenylpropyl alcohol, .beta.-Methylphenethyl alcohol, DTXCID6017756, (+/-)-2-PHENYLPROPANOL, (RS)-2-PHENYL-1-PROPANOL, 2-06-00-00477 (Beilstein Handbook Reference), (+/-)-.BETA.-METHYLBENZENEETHANOL, .BETA.-METHYLPHENETHYL ALCOHOL [FHFI], 2-phenyl propyl alcohol, b-Methylphenethyl alcohol, Beta-MethylphenEthylalcohol, PHENETHYL ALCOHOL, beta-METHYL-, UNII-27ZYZ88DWU, 2phenylpropanol, b-Hydroxycumene, MFCD00145249, 2Phenyl1propanol, 2Phenylpropan1ol, 1Propanol, 2phenyl, 2Methyl2phenylethanol, 2Phenylpropyl alcohol, 1Hydroxy2phenylpropane, 98103-87-8, betaMethylbenzeneethanol, betaPhenylpropyl alcohol, Benzeneethanol, betamethyl, betaMethylphenethyl alcohol, SCHEMBL1260, b-Methylbenzeneethanol, 9CI, Phenethyl alcohol, betamethyl, (R)-2-phenyl propyl alcohol, (RS)-2-phenyl-propan-1-ol, 2-Phenyl-1-propanol, 97%, CHEMBL2323841, FEMA 2732, NSC5232, CHEBI:193640, BAA12385, Tox21_302341, 2-Phenyl-1-propanol, >=97%, FG, AKOS009156532, (+/-)-BETA-METHYLBENZENEETHANOL, NCGC00255620-01, LS-13645, SY004270, SY036226, SY036227, CAS-1123-85-9, DB-069596, CS-0130519, NS00012625, P0813, E78194, EN300-258842, Q27254245, 214-379-7 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Description | Flavouring agent |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.7 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00720 |
| Iupac Name | 2-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 2.4 |
| Superclass | Benzenoids |
| Molecular Formula | C9H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RNDNSYIPLPAXAZ-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.264 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.569 |
| Synonyms | b-Hydroxycumene, b-Methylbenzeneethanol, 9ci, b-Methylphenethyl alcohol, FEMA 2732, Hydratropic alcohol, 2-Phenylpropanol-1, (R)-isomer, 2-Phenylpropanol-1, 2-Phenylpropanol-1, (S)-isomer |
| Compound Name | 2-Phenylpropanol-1 |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -2.5336027999999993 |
| Inchi | InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| Smiles | CC(CO)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Balanophora Involucrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all