Summary

IMPPAT Phytochemical identifier: IMPHY013761

Phytochemical name: 4-Methylcatechol

Synonymous chemical names:
homocatechol

External chemical identifiers:
CID:9958, ChEMBL:CHEMBL158766, ChEBI:17254, ZINC:ZINC000013512210, FDASRS:12GLI7JGB3, SureChEMBL:SCHEMBL12388, MolPort-003-936-117

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Chemical structure information

SMILES:
Cc1ccc(c(c1)O)O

InChI:
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

InChIKey:
ZBCATMYQYDCTIZ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)O))O

Functional groups:
cO

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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: Benzenediols

NP-Likeness score: 0.527

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Chemical structure download