Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001024

Phytochemical name: Phenol, 2-methoxy(2-propenyl)-

Synonymous chemical names:
2-methoxy-3-(2-propenyl)phenol, phenol-2-methoxy-3-(2-propenyl), 2-methoxy-3-allylphenol

External chemical identifiers:
CID:CID_596373, SureChEMBL:SCHEMBL3739900

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Chemical structure information

SMILES:
COc1c(CC=C)cccc1O

InChI:
InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(11)10(8)12-2/h3-4,6-7,11H,1,5H2,2H3

InChIKey:
HKHVWTUGAJEQNP-UHFFFAOYSA-N

DeepSMILES:
COccCC=C)))cccc6O

Functional groups:
cOC, cO, C=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: 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, Cinnamoyl phenols

NP-Likeness score: 1.081

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Chemical structure download