CHEBI:133197 - 2-hydroxyibuprofen

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ChEBI Name 2-hydroxyibuprofen ChEBI ID CHEBI:133197 Definition A hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group. 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 C13H18O3 Net Charge 0 Average Mass 222.281 Monoisotopic Mass 222.12559 InChI InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15) InChIKey UJHKVYPPCJBOSG-UHFFFAOYSA-N SMILES C=1C=C(C=CC1C(C(=O)O)C)CC(O)(C)C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): drug metabolite View more via ChEBI Ontology ChEBI Ontology Outgoing 2-hydroxyibuprofen (CHEBI:133197) has role drug metabolite (CHEBI:49103) 2-hydroxyibuprofen (CHEBI:133197) is a hydroxy monocarboxylic acid (CHEBI:35868) 2-hydroxyibuprofen (CHEBI:133197) is a tertiary alcohol (CHEBI:26878) IUPAC Name 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid Synonyms Sources 2,4'-(2-Hydroxy-2-methylpropyl)phenylpropionic acid ChemIDplus Hydroxyibuprofen ChemIDplus Ibuprofen OH ChemIDplus Manual Xref Database HMDB0060920 HMDB View more database links Registry Numbers Types Sources 3051852 Reaxys Registry Number Reaxys 51146-55-5 CAS Registry Number ChemIDplus Citation Type Source 21079932 PubMed citation Europe PMC Last Modified 08 September 2016