Summary

IMPPAT Phytochemical identifier: IMPHY003555

Phytochemical name: o-Cresol

Synonymous chemical names:
2-methyl-phenol, 2-methylphenol, o-cresol

External chemical identifiers:
CID:335, ChEMBL:CHEMBL46931, ChEBI:28054, ZINC:ZINC000000901022, FDASRS:YW84DH5I7U, SureChEMBL:SCHEMBL16002, MolPort-019-369-022

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Chemical structure information

SMILES:
Cc1ccccc1O

InChI:
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

InChIKey:
QWVGKYWNOKOFNN-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6O

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: Cresols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.235

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Chemical structure download