CHEBI:149767 - 1-hydroxy-1-phenylpropan-2-one

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ChEBI Name 1-hydroxy-1-phenylpropan-2-one
ChEBI ID CHEBI:149767
Definition A secondary α-hydroxy ketone that is benzene which is substituted by a 1-hydroxy-2-oxopropyl group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H10O2
Net Charge 0
Average Mass 150.177
Monoisotopic Mass 150.06808
InChI InChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKey ZBFFNPODXBJBPW-UHFFFAOYSA-N
SMILES C=1C=CC=CC1C(C(C)=O)O
ChEBI Ontology
Outgoing 1-hydroxy-1-phenylpropan-2-one (CHEBI:149767) is a benzenes (CHEBI:22712)
1-hydroxy-1-phenylpropan-2-one (CHEBI:149767) is a methyl ketone (CHEBI:51867)
1-hydroxy-1-phenylpropan-2-one (CHEBI:149767) is a secondary α-hydroxy ketone (CHEBI:2468)
Incoming (R)-phenylacetylcarbinol (CHEBI:149671) is a 1-hydroxy-1-phenylpropan-2-one (CHEBI:149767)
(S)-phenylacetylcarbinol (CHEBI:149670) is a 1-hydroxy-1-phenylpropan-2-one (CHEBI:149767)
IUPAC Name
1-hydroxy-1-phenylpropan-2-one
Synonyms Sources
1-hydroxy-1-phenyl-2-propanone ChEBI
1-hydroxy-1-phenylacetone ChEBI
1-phenylacetylcarbinol ChEBI
phenylacetylcarbinol ChEBI
Citation Waiting for Citations Type Source
IND606212396 Agricola citation Europe PMC
Last Modified
18 May 2020
General Comment
2020-05-18 This is the entry for unspecified stereochemistry. There are separate entries fro the racemate (rac-phenylacetylcarbinol) and its individual enatiomers, (R)- and (S)-phenylacetylcarbinol.