Summary

IMPPAT Phytochemical identifier: IMPHY006552

Phytochemical name: 2',4'-Dihydroxyacetophenone

Synonymous chemical names:
2,4-dihydroxy-acetophenone, 2,4-dihydroxyacetophenone, acetophenone,2,4-dihydroxy

External chemical identifiers:
CID:6990, ChEMBL:CHEMBL243374, ChEBI:18414, ZINC:ZINC000000038028, FDASRS:UC3V356VZC, SureChEMBL:SCHEMBL26357, MolPort-000-482-777

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)C(=O)C

InChI:
InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3

InChIKey:
SULYEHHGGXARJS-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))C=O)C

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: 0.808

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Chemical structure download