Summary

IMPPAT Phytochemical identifier: IMPHY006640

Phytochemical name: 2-Methoxy-4-methylphenol

Synonymous chemical names:
2-methoxy-4-methylphenol, 2-methoxy-p-cresol, 4-methyl-guaiacol, 4-methylguaiacol, creosol

External chemical identifiers:
CID:7144, ChEMBL:CHEMBL3182715, ChEBI:89886, ZINC:ZINC000003875629, FDASRS:W9GW1KZG6N, SureChEMBL:SCHEMBL92236, MolPort-001-770-303

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Chemical structure information

SMILES:
COc1cc(C)ccc1O

InChI:
InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3

InChIKey:
PETRWTHZSKVLRE-UHFFFAOYSA-N

DeepSMILES:
COcccC)ccc6O

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-Likeness score: 0.299

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Chemical structure download