Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000715

Phytochemical name: 2-Phenylethanol

Synonymous chemical names:
2-phenylethanol *, phenylethanol, beta-phenethyl-alcohol, phenylethyl alkohol, phenylethyl alcohol, 2-phenylethyl alcohol, 2-phenethanol, Phenyl ethyl alcohol, Phenylethanol, j-phenylethylalcohol, beta-phenylethyl alcohol, 2-phenylethan-1-ol, 2-Phenethyl alcohol, 2-phenylethyl-alcohol, b-phenylethanol, phenyl ethyl alcohol, mellol, 2-phen ylethanol, Phenylethyl Alcohol, 2-phenylethanol, Phenethyl alcohol, phenylethanol,2, β-phenylethyl alcohol, phenethyl alcohol

External chemical identifiers:
CID:CID_6054, ChEMBL:CHEMBL448500, ChEBI:CHEBI:49000, ZINC:ZINC000000895934, FDASRS:ML9LGA7468, SureChEMBL:SCHEMBL1838, MolPort-000-872-041

---

Chemical structure information

SMILES:
OCCc1ccccc1

InChI:
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey:
WRMNZCZEMHIOCP-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6

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 Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 0.268

---

Chemical structure download