Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009967

Phytochemical name: Phenol, 2-ethenyl-6-methoxy-

Synonymous chemical names:
2-methoxy-6-vinylphenol

External chemical identifiers:
CID:CID_183539, ZINC:ZINC000006019115, SureChEMBL:SCHEMBL60623

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Chemical structure information

SMILES:
COc1cccc(c1O)C=C

InChI:
InChI=1S/C9H10O2/c1-3-7-5-4-6-8(11-2)9(7)10/h3-6,10H,1H2,2H3

InChIKey:
ZMAYRLMREZOVLE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))C=C

Functional groups:
cO, cOC, cC=C

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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: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.607

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Chemical structure download