Summary

IMPPAT Phytochemical identifier: IMPHY008198

Phytochemical name: 4-Vinylphenol

Synonymous chemical names:
4-vinyl-phenol, 4-vinylphenol, p-vinylphenol, phenol, 4-vinyl, vinylphenol,p-

External chemical identifiers:
CID:62453, ChEMBL:CHEMBL349881, ChEBI:1883, ZINC:ZINC000000895826, FDASRS:OA7V1SM8YL, SureChEMBL:SCHEMBL59328, MolPort-001-793-749

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Chemical structure information

SMILES:
C=Cc1ccc(cc1)O

InChI:
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2

InChIKey:
FUGYGGDSWSUORM-UHFFFAOYSA-N

DeepSMILES:
C=Ccccccc6))O

Functional groups:
cC=C, cO

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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: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1), Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives, Shikimic acids and derivatives

NP-Likeness score: 0.864

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Chemical structure download