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CHEBI:131360 - 2-phenyl-1,2-propanediol

ChEBI IDCHEBI:131360
ChEBI Name2-phenyl-1,2-propanediol
Stars
DefinitionA glycol that is cumene carrying two hydroxy substituents at positions 1 and 2
Last Modified28 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC9H12O2
Net Charge0
Average Mass152.193
Monoisotopic Mass152.08373
SMILESCC(O)(CO)c1ccccc1
InChIInChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3
InChIKeyLNCZPZFNQQFXPT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS298)
Homo sapiens (ncbitaxon:9606) - PubMed (26839171)
ChEBI Ontology
Outgoing Relation(s)
2-phenyl-1,2-propanediol (CHEBI:131360) has parent hydride cumene (CHEBI:34656)
2-phenyl-1,2-propanediol (CHEBI:131360) is a benzenes (CHEBI:22712)
2-phenyl-1,2-propanediol (CHEBI:131360) is a glycol (CHEBI:13643)
IUPAC Name 
2-phenylpropane-1,2-diol
Synonyms  Source
1,2-dihydroxy-2-phenylpropaneChEBI
1,2-dihydroxycumeneChEBI
Registry NumbersSources
Reaxys:1936625Reaxys
CAS:4217-66-7ChemIDplus