Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018086

Phytochemical name: 2-(Prop-1-en-1-yl)phenol

Synonymous chemical names:
2-(Prop-1-en-1-yl)phenol

External chemical identifiers:
CID:CID_5463403, ZINC:ZINC000002140904, FDASRS:3P9OH16T17, SureChEMBL:SCHEMBL1876846, Molport-001-790-001

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Chemical structure information

SMILES:
C/C=C/c1ccccc1O

InChI:
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-7,10H,1H3/b5-2+

InChIKey:
WHGXZPQWZJUGEP-GORDUTHDSA-N

DeepSMILES:
C/C=C/cccccc6O

Functional groups:
cO, c/C=C/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: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.786

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Chemical structure download