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> Main
CHEBI:131607 - 2-phenylpropan-2-ol
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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A tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group.
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This entity has been manually annotated by the ChEBI Team.
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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
2-phenylpropan-2-ol
UniProt
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
Types
Sources
1276088
PubMed citation
Europe PMC
22033099
PubMed citation
Europe PMC
3811631
PubMed citation
Europe PMC
Last Modified
02 April 2020