Summary

IMPPAT Phytochemical identifier: IMPHY013789

Phytochemical name: 3,4-Dimethoxyphenol

Synonymous chemical names:
3,4-dimethoxyphenol, phenol,3,4-dimethoxy

External chemical identifiers:
CID:16251, ZINC:ZINC000000388573, FDASRS:38B43WCU83, SureChEMBL:SCHEMBL119396, MolPort-001-784-645

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Chemical structure information

SMILES:
COc1cc(O)ccc1OC

InChI:
InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3

InChIKey:
SMFFZOQLHYIRDA-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6OC

Functional groups:
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: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.678

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Chemical structure download