Summary

IMPPAT Phytochemical identifier: IMPHY007118

Phytochemical name: 2-Hydroxyacetophenone

Synonymous chemical names:
2-hydro-acetophenone, 2-hydroxyacetophenone

External chemical identifiers:
CID:68490, ChEBI:28341, ZINC:ZINC000006116374, FDASRS:DQ1N9R01IA, SureChEMBL:SCHEMBL44898, MolPort-001-792-352

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Chemical structure information

SMILES:
OCC(=O)c1ccccc1

InChI:
InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2

InChIKey:
ZWVHTXAYIKBMEE-UHFFFAOYSA-N

DeepSMILES:
OCC=O)cccccc6

Functional groups:
CO, cC(C)=O

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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 Classifier Superclass: Phenolic acids (C6-C1)

NP-Likeness score: 0.309

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Chemical structure download