1-Phenyl-2-propen-1-one

Details

• Internal ID: 518c405a-991d-470d-8b51-74c9d812e7de
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoyl derivatives
• IUPAC Name: 1-phenylprop-2-en-1-one
• InChI: InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2
• InChI Key: KUIZKZHDMPERHR-UHFFFAOYSA-N
• Popularity: 256 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₈O
• Molecular Weight: 132.16 g/mol
• Exact Mass: 132.057514874 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 1.90

Synonyms

• 1-Phenyl-2-propen-1-one
• 3-Oxo-3-phenylpropene
• Phenyl vinyl ketone
• Vinyl phenyl ketone
• Phenylvinylketone
• 2-Propen-1-one, 1-phenyl-
• O4QWF7V5AA
• 1-phenylpropenone
• NSC-174109
• DTXSID30227607
• RefChem:504683
• DTXCID40150098
• 212-190-4
• Acrylophenone
• 1-phenylprop-2-en-1-one
• 2-Propenophenone
• Ethylene, benzoyl-
• Phenylvinyl ketone
• Acetophenone, 2-methylene-
• KETONE, PHENYL VINYL
• Benzoylethylene
• NSC 174109
• CHEMBL3099615
• 1-Phenyl-2-propen-1-one (Contains ~1% BHT as stabilizer)
• EINECS 212-190-4
• BRN 0635987
• Acryloylbenzene
• 1-Phenyl-2-propen-1-one (Contains ~1% BHT as stabilizer) ~70%
• MFCD00457275
• UNII-O4QWF7V5AA
• 1-phenyl-1-oxo-2-propene
• WLN: 1U1VR
• SCHEMBL38134
• 1-phenyl-prop-2-en-1-one
• 4-07-00-00995 (Beilstein Handbook Reference)
• 1-PHENYLPROP-2-ENONE
• 2-METHYLENEACETOPHENONE
• SCHEMBL645042
• SCHEMBL645043
• orb1705535
• SCHEMBL1333644
• SCHEMBL3327572
• SCHEMBL4282153
• SCHEMBL4282158
• SCHEMBL13158915
• ZINC1702416
• 1968AC
• BDBM50444877
• NSC174109
• AKOS006239796
• BS-13325
• PD139287
• CS-0079589
• NS00037842
• EN300-66663
• 1-Phenylprop-2-en-1-one (Contains stabilizer)
• 768P036
• Q20707278
• 1-PHENYL-2-PROPEN-1-ONE (STABILIZED WITH TBC)
• Dapoxetine Impurity 48 (Contains ~1% BHT as stabilizer)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL4282	P31749	Serine/threonine-protein kinase AKT	12270 nM	IC50	PMID: 24321345

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.64%	95.56%
CHEMBL4246	P42680	Tyrosine-protein kinase TEC	86.49%	82.05%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.61%	86.33%
CHEMBL221	P23219	Cyclooxygenase-1	85.42%	90.17%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	84.57%	94.62%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	83.75%	87.67%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.27%	95.50%

Plants that contains it

• Styrax benzoin

Cross-Links

• PubChem: 13028
• NPASS: NPC245966
• ChEMBL: CHEMBL3099615