Summary

IMPPAT Phytochemical identifier: IMPHY006279

Phytochemical name: 2-Phenylethanol

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

External chemical identifiers:
CID:6054, ChEMBL:CHEMBL448500, ChEBI:49000, ZINC:ZINC000000895934, FDASRS:ML9LGA7468, SureChEMBL:SCHEMBL1838, MolPort-000-872-041

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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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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

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Chemical structure download