Summary

IMPPAT Phytochemical identifier: IMPHY017692

Phytochemical name: 4-Hydroxy-2-methylacetophenone

Synonymous chemical names:
2-methyl-4-hydroxyacetophenone

External chemical identifiers:
CID:70133, ChEMBL:CHEMBL47807, ChEBI:87314, ZINC:ZINC000001691583, FDASRS:8K85H86ZED, SureChEMBL:SCHEMBL96129, MolPort-001-757-401

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Chemical structure information

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

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

InChIKey:
IAMNVCJECQWBLZ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)C))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-Likeness score: 0.428

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Chemical structure download