Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006832

Phytochemical name: 2'-Methoxyacetophenone

Synonymous chemical names:
o-methoxyacetophenone, o-acetanisole

External chemical identifiers:
CID:CID_68481, ZINC:ZINC000001602584, FDASRS:0WYN389I4N, SureChEMBL:SCHEMBL54071, MolPort-000-871-251

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Chemical structure information

SMILES:
COc1ccccc1C(=O)C

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

InChIKey:
DWPLEOPKBWNPQV-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C=O)C

Functional groups:
cC(C)=O, cOC

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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: -0.445

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Chemical structure download