Summary

IMPPAT Phytochemical identifier: IMPHY001498

Phytochemical name: 3-Buten-2-ol, 4-phenyl-

Synonymous chemical names:
4-phenylbut-3-en-2-ol

External chemical identifiers:
CID:15172

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Chemical structure information

SMILES:
CC(C=Cc1ccccc1)O

InChI:
InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3

InChIKey:
ZIJWGEHOVHJHKB-UHFFFAOYSA-N

DeepSMILES:
CCC=Ccccccc6))))))))O

Functional groups:
CO, cC=CC

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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: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamyl alcohols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 1.185

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Chemical structure download