Summary

IMPPAT Phytochemical identifier: IMPHY016783

Phytochemical name: 2'-Methylacetophenone

Synonymous chemical names:
o-methylacetophenone

External chemical identifiers:
CID:11340, ChEBI:145958, ZINC:ZINC000001736725, FDASRS:23O5EV975S, SureChEMBL:SCHEMBL112406, MolPort-001-759-941

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Chemical structure information

SMILES:
CC(=O)c1ccccc1C

InChI:
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

InChIKey:
YXWWHNCQZBVZPV-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccccc6C

Functional groups:
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-Likeness score: -0.574

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Chemical structure download