Summary

IMPPAT Phytochemical identifier: IMPHY016926

Phytochemical name: 4-Methoxydiphenyl

Synonymous chemical names:
4-methoxydiphenyl

Chemical structure information

SMILES:
COc1ccc(cc1)c1ccccc1

InChI:
InChI=1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3

InChIKey:
RHDYQUZYHZWTCI-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))cccccc6

Functional groups:
cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Biphenyls and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Terphenyls

NP Classifier Class: p-Terphenyls

NP-Likeness score: -0.371

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Chemical structure download