Summary

IMPPAT Phytochemical identifier: IMPHY012015

Phytochemical name: Methylphenol

Synonymous chemical names:
methylphenol

External chemical identifiers:
CID:24693, ChEMBL:CHEMBL1410808, SureChEMBL:SCHEMBL6243247

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Chemical structure information

SMILES:
Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O

InChI:
InChI=1S/3C7H8O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3

InChIKey:
QTWJRLJHJPIABL-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6O.Ccccccc6)O.Ccccccc6))O

Functional groups:
cO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Cresols

NP-Likeness score: 0.067

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Chemical structure download