CHEBI:28054 - o-cresol

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ChEBI Name o-cresol
ChEBI ID CHEBI:28054
ChEBI ASCII Name o-cresol
Definition A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10609, CHEBI:25617
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Formula C7H8O
Net Charge 0
Average Mass 108.13780
InChI InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKey QWVGKYWNOKOFNN-UHFFFAOYSA-N
SMILES Cc1ccccc1O
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing o-cresol (CHEBI:28054) has role human xenobiotic metabolite (CHEBI:76967)
o-cresol (CHEBI:28054) is a cresol (CHEBI:25399)
Incoming 2-[(ethylsulfanyl)methyl]phenol (CHEBI:38487) has functional parent o-cresol (CHEBI:28054)
4,6-dinitro-o-cresol (CHEBI:39349) has functional parent o-cresol (CHEBI:28054)
4-chloro-2-methylphenol (CHEBI:1800) has functional parent o-cresol (CHEBI:28054)
IUPAC Name
2-methylphenol
Synonyms Sources
1-hydroxy-2-methylbenzene ChemIDplus
2-cresol ChemIDplus
2-hydroxy-1-methylbenzene ChemIDplus
2-Hydroxytoluene KEGG COMPOUND
2-hydroxytoluene ChemIDplus
o-Cresol KEGG COMPOUND
o-cresylic acid ChemIDplus
o-Kresol NIST Chemistry WebBook
o-Methylphenol KEGG COMPOUND
ortho-cresol ChemIDplus
orthocresol ChemIDplus
Database Links Databases
C00030878 KNApSAcK
C01542 KEGG COMPOUND
c0281 UM-BBD
HMDB02055 HMDB
JZ0 PDBeChem
O-Cresol Wikipedia
View more database links
Registry Numbers Types Sources
101619 Gmelin Registry Number Gmelin
506917 Reaxys Registry Number Reaxys
506917 Beilstein Registry Number Beilstein
95-48-7 CAS Registry Number ChemIDplus
95-48-7 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
15687000 PubMed citation CiteXplore
Last Modified
28 July 2014