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CHEBI:38572 - 3,5-xylenol

ChEBI IDCHEBI:38572
ChEBI Name3,5-xylenol
Stars
DefinitionA member of the class of phenols that phenol substituted by methyl groups at positions 3 and 5.
Last Modified19 November 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H10O
Net Charge0
Average Mass122.167
Monoisotopic Mass122.07316
SMILESCc1cc(C)cc(O)c1
InChIInChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChIKeyTUAMRELNJMMDMT-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
3,5-xylenol (CHEBI:38572) has parent hydride m-xylene (CHEBI:28488)
3,5-xylenol (CHEBI:38572) has role xenobiotic metabolite (CHEBI:76206)
3,5-xylenol (CHEBI:38572) is a phenols (CHEBI:33853)
Incoming Relation(s)
4-chloro-3,5-dimethylphenol (CHEBI:34393) has functional parent 3,5-xylenol (CHEBI:38572)
XMC (CHEBI:38571) has functional parent 3,5-xylenol (CHEBI:38572)
IUPAC Name 
3,5-dimethylphenol
Synonyms  Source
1,3,5-XylenolChemIDplus
3,5-DmpChemIDplus
Sym-m-xylenolChemIDplus
1,5-Dimethyl-3-hyperoxybenzeneNIST Chemistry WebBook
Registry NumbersSources
Reaxys:774117Reaxys
CAS:108-68-9ChemIDplus
CAS:108-68-9NIST Chemistry WebBook
Citations