Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002822

Phytochemical name: p-Cresol

Synonymous chemical names:
p-tolyl alcohol, 4-methylphenol, cresol,p-, P-Cresol, p-cresol

External chemical identifiers:
CID:CID_2879, ChEMBL:CHEMBL16645, ChEBI:CHEBI:17847, ZINC:ZINC000000897142, FDASRS:1MXY2UM8NV, SureChEMBL:SCHEMBL375, MolPort-000-872-040

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Chemical structure information

SMILES:
Cc1ccc(cc1)O

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

InChIKey:
IWDCLRJOBJJRNH-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6))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: Cresols

NP-Likeness score: 0.104

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Chemical structure download