Summary

IMPPAT Phytochemical identifier: IMPHY007038

Phytochemical name: 1-Phenylethanol

Synonymous chemical names:
1-phenyl ethanol, 1-phenyle thanol, 1-phenylethanol, 1-phenylethyl-alcohol, ethanol, 1-phenyl, methyl phenyl carbinol, styrallyl alcohol

External chemical identifiers:
CID:7409, ChEMBL:CHEMBL508917, ChEBI:669, FDASRS:E6O895DQ52, SureChEMBL:SCHEMBL2164, MolPort-001-788-492

---

Chemical structure information

SMILES:
CC(c1ccccc1)O

InChI:
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

InChIKey:
WAPNOHKVXSQRPX-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))))))O

Functional groups:
CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.05

---

Chemical structure download