EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59684 - (1-hydroxycyclopentyl)phenylacetic acid

ChEBI IDCHEBI:59684
ChEBI Name(1-hydroxycyclopentyl)phenylacetic acid
Stars
Definition(1-hydroxycyclopentyl)acetic acid in which one of the hydrogens α to the carboxylic acid group is substituted by a phenyl group.
Last Modified8 July 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H16O3
Net Charge0
Average Mass220.268
Monoisotopic Mass220.10994
SMILESO=C(O)C(c1ccccc1)C1(O)CCCC1
InChIInChI=1S/C13H16O3/c14-12(15)11(10-6-2-1-3-7-10)13(16)8-4-5-9-13/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
InChIKeyMHVVPVXRMHIATI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(1-hydroxycyclopentyl)phenylacetic acid (CHEBI:59684) is a monocarboxylic acid (CHEBI:25384)
(1-hydroxycyclopentyl)phenylacetic acid (CHEBI:59684) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
cyclopentolate (CHEBI:4024) has functional parent (1-hydroxycyclopentyl)phenylacetic acid (CHEBI:59684)
IUPAC Name 
(1-hydroxycyclopentyl)(phenyl)acetic acid
Registry NumbersSources
Beilstein:2647013Beilstein
CAS:25209-52-3ChemIDplus