Summary

IMPPAT Phytochemical identifier: IMPHY009678

Phytochemical name: 2-Ethenylphenol

Synonymous chemical names:
2-vinylphenol

External chemical identifiers:
CID:135442, ZINC:ZINC000005158058, FDASRS:I4M2EJN11W, SureChEMBL:SCHEMBL20076, MolPort-001-786-618

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Chemical structure information

SMILES:
C=Cc1ccccc1O

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

InChIKey:
JESXATFQYMPTNL-UHFFFAOYSA-N

DeepSMILES:
C=Ccccccc6O

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)

NP Classifier Class: Shikimic acids and derivatives, Simple phenolic acids

NP-Likeness score: 0.614

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Chemical structure download