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CHEBI:133197 - 2-hydroxyibuprofen

ChEBI IDCHEBI:133197
ChEBI Name2-hydroxyibuprofen
Stars
DefinitionA hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group.
Last Modified8 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC13H18O3
Net Charge0
Average Mass222.284
Monoisotopic Mass222.12559
SMILESCC(C(=O)O)c1ccc(CC(C)(C)O)cc1
InChIInChI=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)
InChIKeyUJHKVYPPCJBOSG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
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  Source
HydroxyibuprofenChemIDplus
Ibuprofen OHChemIDplus
2,4'-(2-Hydroxy-2-methylpropyl)phenylpropionic acidChemIDplus
Manual XrefsDatabases
HMDB0060920HMDB
Registry NumbersSources
Reaxys:3051852Reaxys
CAS:51146-55-5ChemIDplus
Citations