CHEBI:28054 - o-cresol

ChEBI IDCHEBI:28054
ChEBI Nameo-cresol
Stars
ASCII Nameo-cresol
DefinitionA cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.
Secondary ChEBI IDsCHEBI:10609, CHEBI:25617
Last Modified21 August 2018
DownloadsMolfile
FormulaC7H8O
Net Charge0
Average Mass108.140
Monoisotopic Mass108.05751
SMILESCc1ccccc1O
InChIInChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKeyQWVGKYWNOKOFNN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fungicide  A substance used to destroy fungal pests.
Application:
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
o-cresol (CHEBI:28054) has role human xenobiotic metabolite (CHEBI:76967)
o-cresol (CHEBI:28054) is a cresol (CHEBI:25399)
Incoming Relation(s)
o-cresol hydrogen sulfate (CHEBI:133089) has functional parent o-cresol (CHEBI:28054)
1-(2-methylphenyl)glycerol (CHEBI:94398) has functional parent o-cresol (CHEBI:28054)
2-[(ethylsulfanyl)methyl]phenol (CHEBI:38487) has functional parent o-cresol (CHEBI:28054)
2-methylanisole (CHEBI:141702) has functional parent o-cresol (CHEBI:28054)
4-chloro-2-methylphenol (CHEBI:1800) has functional parent o-cresol (CHEBI:28054)
4,6-dinitro-o-cresol (CHEBI:39349) has functional parent o-cresol (CHEBI:28054)
IUPAC Name 
2-methylphenol
Synonyms  Source
o-CresolKEGG COMPOUND
2-HydroxytolueneKEGG COMPOUND
o-MethylphenolKEGG COMPOUND
orthocresolChemIDplus
2-cresolChemIDplus
1-hydroxy-2-methylbenzeneChemIDplus
UniProt Name  Source
2-hydroxytolueneUniProt
Manual XrefsDatabases
C01542KEGG COMPOUND
c0281UM-BBD
JZ0PDBeChem
O-CresolWikipedia
HMDB0002055HMDB
C00030878KNApSAcK
Registry NumbersSources
Gmelin:101619Gmelin
Reaxys:506917Reaxys
CAS:95-48-7KEGG COMPOUND
CAS:95-48-7ChemIDplus
CAS:95-48-7NIST Chemistry WebBook
Citations