CHEBI:38572 - 3,5-xylenol

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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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 Beilstein Registry Number Beilstein 774117 Reaxys Registry Number Reaxys Citations Types Sources 6989805 PubMed citation Europe PMC 8832438 PubMed citation Europe PMC Last Modified 19 November 2015