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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:38572 - 3,5-xylenol
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ChEBI Ontology
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ChEBI Name
3,5-xylenol
ChEBI ID
CHEBI:38572
Definition
A member of the class of phenols that phenol substituted by methyl groups at positions 3 and 5.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H10O
Net Charge
0
Average Mass
122.16440
Monoisotopic Mass
122.07316
InChI
InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChIKey
TUAMRELNJMMDMT-UHFFFAOYSA-N
SMILES
Cc1cc(C)cc(O)c1
Roles Classification
Biological Role
(s):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Sources
1,3,5-Xylenol
ChemIDplus
1,5-Dimethyl-3-hyperoxybenzene
NIST Chemistry WebBook
3,5-Dmp
ChemIDplus
Sym-m-xylenol
ChemIDplus
Registry Numbers
Types
Sources
108-68-9
CAS Registry Number
NIST Chemistry WebBook
108-68-9
CAS Registry Number
ChemIDplus
774117
Reaxys Registry Number
Reaxys
Citations
Types
Sources
6989805
PubMed citation
Europe PMC
8832438
PubMed citation
Europe PMC
Last Modified
19 November 2015