Summary

IMPPAT Phytochemical identifier: IMPHY009784

Phytochemical name: 2'-Hydroxyacetophenone

Synonymous chemical names:
1-(2-hydroxyphenyl)-ethanone, 1-(2-hydroxyphenyl)ethanone, 2'-hydroxy-acetophenone, o-hydroxy-acetophenone, o-hydroxyacetophenone

External chemical identifiers:
CID:8375, ChEMBL:CHEMBL3187012, ChEBI:145716, ZINC:ZINC000001699884, FDASRS:3E533Z76W0, SureChEMBL:SCHEMBL40865, MolPort-000-871-232

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Chemical structure information

SMILES:
CC(=O)c1ccccc1O

InChI:
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

InChIKey:
JECYUBVRTQDVAT-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccccc6O

Functional groups:
cC(C)=O, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.206

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Chemical structure download