Summary

IMPPAT Phytochemical identifier: IMPHY001559

Phytochemical name: 2'-Hydroxy-5'-methylacetophenone

Synonymous chemical names:
1-hydroxy-2-acetyl-4-methylbenzene, 2-hydroxy-5-methyl-acetophenone, 2-hydroxy-5-methylacetophenone

External chemical identifiers:
CID:15068, ChEMBL:CHEMBL4444601, ZINC:ZINC000000088245, FDASRS:11661U1ZEN, SureChEMBL:SCHEMBL471440, MolPort-000-669-100

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Chemical structure information

SMILES:
Cc1ccc(c(c1)C(=O)C)O

InChI:
InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3

InChIKey:
YNPDFBFVMJNGKZ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)C=O)C)))O

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-Likeness score: -0.02

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Chemical structure download