Summary

IMPPAT Phytochemical identifier: IMPHY013829

Phytochemical name: 2,3-Dimethoxyphenol

Synonymous chemical names:
dimethoxyphenol

External chemical identifiers:
CID:78828, ZINC:ZINC000000388168, FDASRS:OW147I6C84, SureChEMBL:SCHEMBL186826, MolPort-001-769-144

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Chemical structure information

SMILES:
COc1c(OC)cccc1O

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

InChIKey:
QSZCGGBDNYTQHH-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6O

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: Phenylpropanoids (C6-C3)

NP-Likeness score: 0.799

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Chemical structure download