Summary

IMPPAT Phytochemical identifier: IMPHY008705

Phytochemical name: Ethanone, 1-(4-methoxyphenyl)

Synonymous chemical names:
ethanone, 1-(4-methoxyphenyl)

External chemical identifiers:
CID:59303721, SureChEMBL:SCHEMBL11065555

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Chemical structure information

SMILES:
COc1ccc(cc1)C(=O)[CH]

InChI:
InChI=1S/C9H8O2/c1-7(10)8-3-5-9(11-2)6-4-8/h1,3-6H,2H3

InChIKey:
HWSDGCMIZMNDPQ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))C=O)[CH]

Functional groups:
[CH]C(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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoyl derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.364

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Chemical structure download