Phenylpropanol
PubChem CID: 7147
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| Compound Synonyms | 1-Phenyl-1-propanol, 1-Phenylpropan-1-ol, 93-54-9, Phenylpropanol, Phenycholon, 1-Phenylpropanol, Fepar, Ejibil, Felicur, Livonal, Bilergon, Carbicol, Epatoxfen, Felitrope, Gallenperlen, Phenicol, Phenychol, Phenylchol, Choleda, Unichol, 1-Phenylpropyl alcohol, Phenyl ethyl carbinol, Phenylcholon, alpha-Ethylbenzyl alcohol, Ethyl phenyl carbinol, 1-Propanol, 1-phenyl-, 1-Phenyl-1-hydroxypropane, Phenylpropanol [JAN], Phenylaethylcarbinol, alpha-Ethylbenzenemethanol, FEMA No. 2884, SH 261, alpha-Hydroxypropylbenzene, Benzenemethanol, .alpha.-ethyl-, .alpha.-Ethylbenzyl alcohol, Phenylaethylcarbinol [German], Benzenemethanol, alpha-ethyl-, NSC 25504, phenyl propanol, BENZYL ALCOHOL, alpha-ETHYL-, EINECS 202-256-0, Ethylbenzyl alcohol, NSC-25504, BRN 1906759, Benzyl alcohol, .alpha.-ethyl-, DTXSID2044474, Phenylpropanol (JAN), AI3-19819, 0F897O3O4M, 1-Phenyl-propan-1-ol, MFCD00004564, .alpha.-Hydroxypropylbenzene, .omega.-Ethylbenzyl alcohol, PHENYLPROPANOL [MART.], DTXCID0024474, EC 202-256-0, 4-06-00-03183 (Beilstein Handbook Reference), ETHYLBENZYL ALCOHOL [WHO-DD], 1-PHENYL-1-PROPANOL [FHFI], NCGC00165972-01, .ALPHA.-ETHYLBENZYL ALCOHOL [MI], Fenicol (VAN), PHENYLPROPANOL (MART.), ETHYLPHENYLCARBINOL, a-ethylbenzyl alcohol, R-(+)-1-Phenylpropanol, S-(-)-1-Phenylpropanol, (R)-1-phenyl-1-propanol, 1Phenylpropanol, UNII-0F897O3O4M, 1Phenylpropan1ol, Phenylpropylalkohol, 1Propanol, 1phenyl, 1-Phenyl-n-propanol, 1Phenylpropyl alcohol, a-Hydroxypropylbenzene, 1Phenyl1hydroxypropane, Other proprietary names, alphaEthylbenzenemethanol, alphaEthylbenzyl alcohol, alphaHydroxypropylbenzene, omegaEthylbenzyl alcohol, 1- phenyl-1-propanol, Phenyl-1-propan-1-ol, alpha-Ethyl-benzyl alcohol, Benzyl alcohol, alphaethyl, 1-hydroxy-1-phenylpropane, Benzenemethanol, alphaethyl, (+/-)-1-Phenylpropanol, .alpha.-Ethylbenzenemethanol, a-Ethylbenzenemethanol, 9CI, SCHEMBL56673, ghl.PD_Mitscher_leg0.415, PHENYLPROPANOL [INCI], (+/-) 1-phenyl-1-propanol, CHEMBL1397202, CHEBI:31995, FEMA 2884, DTXSID30273982, 1-Phenyl-1-propanol, >=97%, DTXCID901777798, AAA09354, NSC25504, NSC41708, STR02714, Benzenemethanol, alpha-ethyl-(9CI), Tox21_112275, NSC-41708, 1-Phenyl-1-propanol, >=97%, FG, AKOS000249117, AKOS016843880, AB88253, CS-W013334, HY-W012618, CAS-93-54-9, s11247, NCGC00165972-02, NCGC00165980-01, NCGC00166078-01, DA-66667, SY020321, SY101126, DB-043324, DB-072950, NS00004787, P0212, D01470, EN300-128217, SBI-0654040.0001, SR-01000944521, ( inverted exclamation markA)-1-Phenyl-1-propanol, SR-01000944521-1, Q15726117, Z335245178, 202-256-0, 215-621-4, 258-889-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCcccccc6))))))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | It is used as a food additive . |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, P27695 |
| Iupac Name | 1-phenylpropan-1-ol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.9 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | DYUQAZSOFZSPHD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | a-Ethylbenzenemethanol, 9CI, a-Ethylbenzyl alcohol, a-Hydroxypropylbenzene, Ejibil, Ethylphenylcarbinol, Felicur, FEMA 2884, Livonal, Other proprietary names, Phenycholon, SH 261, alpha-Ethylbenzyl alcohol, a-Ethylbenzenemethanol, 9ci, 1-Phenyl-1-propanol, alpha-phenylpropyl-alcohol, phenylpropanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Phenylpropanol |
| Kingdom | Organic compounds |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3 |
| Smiles | CCC(C1=CC=CC=C1)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanes |
- 1. Outgoing r'ship
FOUND_INto/from Iris Germanica (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/7869239 - 2. Outgoing r'ship
FOUND_INto/from Narcissus Tazetta (Plant) Rel Props:Source_db:npass_chem_all