CHEBI:39839 - 3,4-xylenol

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ChEBI Name 3,4-xylenol
ChEBI ID CHEBI:39839
Definition A member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:38575, CHEBI:39833
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Formulae C8H10O
C8H10O
Net Charge 0
Average Mass 122.16440
Monoisotopic Mass 122.07316
InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKey YCOXTKKNXUZSKD-UHFFFAOYSA-N
SMILES Cc1ccc(O)cc1C
ChEBI Ontology
Outgoing 3,4-xylenol (CHEBI:39839) has parent hydride o-xylene (CHEBI:28063)
3,4-xylenol (CHEBI:39839) is a phenols (CHEBI:33853)
Incoming xylylcarb (CHEBI:35048) has functional parent 3,4-xylenol (CHEBI:39839)
IUPAC Name
3,4-dimethylphenol
Synonyms Sources
1,2-Dimethyl-4-hydroxybenzene NIST Chemistry WebBook
1,3,4-Xylenol ChemIDplus
3,4-DMP ChemIDplus
4,5-Dimethylphenol ChemIDplus
4-Hydroxy-1,2-dimethylbenzene ChemIDplus
Manual Xrefs Databases
2MP PDBeChem
3,4-Xylenol Wikipedia
DB04052 DrugBank
HMDB0032151 HMDB
View more database links
Registry Numbers Types Sources
1099267 Beilstein Registry Number Beilstein
1099267 Reaxys Registry Number Reaxys
95-65-8 CAS Registry Number NIST Chemistry WebBook
95-65-8 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
11217037 PubMed citation Europe PMC
Last Modified
17 April 2014