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CHEBI:157631 - 2-hydroxy-2-phenylcyclohexanecarboxylic acid

ChEBI IDCHEBI:157631
ChEBI Name2-hydroxy-2-phenylcyclohexanecarboxylic acid
Stars
DefinitionA member of the class of cyclohexanols that is cyclohexane substituted by carboxy, hydroxy and phenyl groups at positions 1, 2 and 2, respectively.
Last Modified12 October 2020
SubmitterAdnan
DownloadsMolfile
FormulaC13H16O3
Net Charge0
Average Mass220.268
Monoisotopic Mass220.10994
SMILESO=C(O)C1CCCCC1(O)c1ccccc1
InChIInChI=1S/C13H16O3/c14-12(15)11-8-4-5-9-13(11,16)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
InChIKeyVCZPUGSOJXZKIP-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)
2-hydroxy-2-phenylcyclohexanecarboxylic acid (CHEBI:157631) is a benzenes (CHEBI:22712)
2-hydroxy-2-phenylcyclohexanecarboxylic acid (CHEBI:157631) is a cyclohexanols (CHEBI:23480)
2-hydroxy-2-phenylcyclohexanecarboxylic acid (CHEBI:157631) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
(1R,2S)-cicloxilic acid (CHEBI:157629) is a 2-hydroxy-2-phenylcyclohexanecarboxylic acid (CHEBI:157631)
(1S,2R)-cicloxilic acid (CHEBI:157630) is a 2-hydroxy-2-phenylcyclohexanecarboxylic acid (CHEBI:157631)
IUPAC Name 
2-hydroxy-2-phenylcyclohexanecarboxylic acid
Synonym  Source
2-hydroxy-2-phenylcyclohexane-1-carboxylic acidIUPAC