CHEBI:131607 - 2-phenylpropan-2-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-phenylpropan-2-ol
ChEBI ID CHEBI:131607
Definition A tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H12O
Net Charge 0
Average Mass 136.191
Monoisotopic Mass 136.08882
InChI InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKey BDCFWIDZNLCTMF-UHFFFAOYSA-N
SMILES C(C1=CC=CC=C1)(O)(C)C
Metabolite of Species Details
Mycoplasma genitalium (NCBI:txid2097) See: PubMed
Roles Classification
Biological Role(s): Mycoplasma genitalium metabolite
Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-phenylpropan-2-ol (CHEBI:131607) has parent hydride cumene (CHEBI:34656)
2-phenylpropan-2-ol (CHEBI:131607) has role Mycoplasma genitalium metabolite (CHEBI:131604)
2-phenylpropan-2-ol (CHEBI:131607) has role human xenobiotic metabolite (CHEBI:76967)
2-phenylpropan-2-ol (CHEBI:131607) is a benzyl alcohols (CHEBI:22743)
2-phenylpropan-2-ol (CHEBI:131607) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
2-phenylpropan-2-ol
Synonyms Sources
1-hydroxycumene NIST Chemistry WebBook
2-phenyl-2-propanol ChemIDplus
2-phenylisopropanol ChemIDplus
α,α-dimethylbenzenemethanol ChemIDplus
α,α-dimethylbenzyl aldohol ChemIDplus
α-cumyl alcohol NIST Chemistry WebBook
dimethylphenylcarbinol NIST Chemistry WebBook
dimethylphenylmethanol NIST Chemistry WebBook
phenyldimethylcarbinol ChemIDplus
Registry Numbers Types Sources
1905012 Reaxys Registry Number Reaxys
617-94-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1276088 PubMed citation Europe PMC
22033099 PubMed citation Europe PMC
3811631 PubMed citation Europe PMC
Last Modified
24 March 2016