CHEBI:87314 - 4-hydroxy-2-methylacetophenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxy-2-methylacetophenone
ChEBI ID CHEBI:87314
Definition A member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H10O2
Net Charge 0
Average Mass 150.17450
Monoisotopic Mass 150.06808
InChI InChI=1S/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3
InChIKey IAMNVCJECQWBLZ-UHFFFAOYSA-N
SMILES CC(=O)c1ccc(O)cc1C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-hydroxy-2-methylacetophenone (CHEBI:87314) has role metabolite (CHEBI:25212)
4-hydroxy-2-methylacetophenone (CHEBI:87314) is a acetophenones (CHEBI:22187)
4-hydroxy-2-methylacetophenone (CHEBI:87314) is a phenols (CHEBI:33853)
IUPAC Name
1-(4-hydroxy-2-methylphenyl)ethan-1-one
Synonym Source
1-acetyl-4-hydroxy-2-methylbenzene ChEBI
Registry Numbers Types Sources
2043591 Reaxys Registry Number Reaxys
875-59-2 CAS Registry Number ChemIDplus
875-59-2 CAS Registry Number NIST Chemistry WebBook
Last Modified
02 September 2015