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CHEBI:166495 - 4-hydroxy-3-methylacetophenone

Default Structure
ChEBI IDCHEBI:166495
ChEBI Name4-hydroxy-3-methylacetophenone
Stars
DefinitionA monohydroxyacetophenone that is acetophenone carrying methyl and hydroxy groups at positions 3 and 4, respectively.
Last Modified8 July 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESCC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
InChIKeyLXBHHIZIQVZGFN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gerbera piloselloides (ncbitaxon:41622) - PubMed (24380282)
Rhus potaninii (ncbitaxon:298664) - PubMed (32731414)
Roles Classification
Biological Roles:
insect attractant  A chemical that attracts insects.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-methylacetophenone (CHEBI:166495) has functional parent acetophenone (CHEBI:27632)
4-hydroxy-3-methylacetophenone (CHEBI:166495) has role insect attractant (CHEBI:24850)
4-hydroxy-3-methylacetophenone (CHEBI:166495) has role volatile oil component (CHEBI:27311)
4-hydroxy-3-methylacetophenone (CHEBI:166495) is a hydroxytoluene (CHEBI:24751)
4-hydroxy-3-methylacetophenone (CHEBI:166495) is a monohydroxyacetophenone (CHEBI:25387)
4-hydroxy-3-methylacetophenone (CHEBI:166495) is a phenols (CHEBI:33853)
IUPAC Name 
1-(4-hydroxy-3-methylphenyl)ethanone
Synonyms  Source
1-(3-methyl-4-hydroxyphenyl)ethanoneChEBI
1-(4-hydroxy-3-methylphenyl)ethan-1-oneIUPAC
1-(4-hydroxy-3-methyl-phenyl)ethanonePDBeChem
2-methyl-4-acetylphenolChEBI
3'-methyl-4'-hydroxyacetophenoneChEBI
4-acetyl-2-methylphenolChEBI
Manual XrefsDatabases
63323ChemSpider
HMDB0059824HMDB
YTPPDBeChem
Registry NumbersSources
Reaxys:2041839Reaxys
CAS:876-02-8ChemIDplus
CAS:876-02-8NIST Chemistry WebBook
Citations