Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000081

Phytochemical name: 2-Methoxy-4-vinylphenol

Synonymous chemical names:
4-vinyl-2-methoxyphenol, 2-methoxy-4-vinyl-phenol, 4-vinylguiacol, Guaiacol 4-vinyl, guaiacol, 4-vinyl, 2-methoxγ-4-vinylphenol, p-vinylguaiacol, p-vinylguaicol, 4-Vinylguaiacol, 3-methoxy-4-hydroxystyrene, 2-methoxy-4- vinylphenol, 4-vinylguaiacol, p-vinyl-guaiacol, Guaiacol, 4-vinyl, 4-vinyl-guaiacol, 2-Methoxy-4-vinylphenol, 2-methoxy-4-vinylphenol (in mixture), 2-methoxy-4-vinylphenol

External chemical identifiers:
CID:CID_332, ChEMBL:CHEMBL1232595, ChEBI:CHEBI:42438, ZINC:ZINC000001849800, FDASRS:DA069CTH0O, SureChEMBL:SCHEMBL54199, MolPort-003-960-024

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Chemical structure information

SMILES:
COc1cc(C=C)ccc1O

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

InChIKey:
YOMSJEATGXXYPX-UHFFFAOYSA-N

DeepSMILES:
COcccC=C))ccc6O

Functional groups:
cOC, cO, 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: 1.011

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Chemical structure download