Summary

IMPPAT Phytochemical identifier: IMPHY017671

Phytochemical name: 4'-Methoxypropiophenone

Synonymous chemical names:
para-methoxypropiophenone

External chemical identifiers:
CID:67144, ChEMBL:CHEMBL444556, ChEBI:167420, ZINC:ZINC000000330146, FDASRS:V4W5HX9O2D, SureChEMBL:SCHEMBL459470, MolPort-001-770-175

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Chemical structure information

SMILES:
CCC(=O)c1ccc(cc1)OC

InChI:
InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3

InChIKey:
ZJVAWPKTWVFKHG-UHFFFAOYSA-N

DeepSMILES:
CCC=O)cccccc6))OC

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: -0.44

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Chemical structure download