Summary

IMPPAT Phytochemical identifier: IMPHY000348

Phytochemical name: 2,5-Dimethoxy-4-(2-propenyl)phenol

Synonymous chemical names:
5-methoxyeugenol

External chemical identifiers:
CID:11052523, ChEBI:173945, SureChEMBL:SCHEMBL3486415

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Chemical structure information

SMILES:
C=CCc1cc(OC)c(cc1OC)O

InChI:
InChI=1S/C11H14O3/c1-4-5-8-6-11(14-3)9(12)7-10(8)13-2/h4,6-7,12H,1,5H2,2-3H3

InChIKey:
WPWFNFQROATLTG-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOC))ccc6OC))))O

Functional groups:
C=CC, cO, cOC

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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: 1.064

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Chemical structure download