Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003905

Phytochemical name: m-Cresol

Synonymous chemical names:
m-cresol, cresol, m-, cresol,m-

External chemical identifiers:
CID:CID_342, ChEMBL:CHEMBL298312, ChEBI:CHEBI:17231, ZINC:ZINC000000897141, FDASRS:GGO4Y809LO, SureChEMBL:SCHEMBL10736, MolPort-001-783-114

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Chemical structure information

SMILES:
Cc1cccc(c1)O

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

InChIKey:
RLSSMJSEOOYNOY-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: 0.117

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Chemical structure download