4-Phenyl-3-buten-2-one

C10H10OCAS 122-57-6146.19 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C10H10O
Molar mass
146.19 g/mol
Exact mass
146.0732 Da
Melting point
41.5 °C
Boiling point
261 °C
logP
2.29Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,901 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P501

Identifiers

CAS number
122-57-6
SMILES
CC(=O)C=Cc1ccccc1
InChIKey
BWHOZHOGCMHOBV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3

Weigh it out

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Names and synonyms

17 names · show all
  • 3-Buten-2-one, 4-phenyl-
  • Ketone, methyl styryl
  • 2-Butenone, 4-phenyl-
  • Acetocinnamone
  • Methyl styryl ketone
  • Benzalacetone
  • Benzylideneacetone
  • 4-Phenylbutenone
  • 1-Phenyl-1-buten-3-one
  • Methyl β-styryl ketone
  • 2-Phenylvinyl methyl ketone
  • Methyl 2-phenylvinyl ketone
  • Styryl methyl ketone
  • 4-Phenyl-3-butene-2-one
  • 2-Phenylethenyl methyl ketone
  • NSC 5605
  • Methyl phenylvinyl ketone

Reactions

Work with 4-Phenyl-3-buten-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

trans-4-Phenyl-3-buten-2-one1896-62-4Defined stereoisomer

Similar compounds

(4-Hydroxybenzylidene)acetone3160-35-863 % similar 4-(4-Chlorophenyl)-3-buten-2-one3160-40-563 % similar (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one35225-79-759 % similar Dibenzylideneacetone538-58-959 % similar 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one80992-92-356 % similar trans-Chalcone614-47-155 % similar Chalcone94-41-755 % similar Cinnamoyl chloride102-92-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Methylcinnamaldehyde101-39-3 2-Phenyl-3-butyn-2-ol127-66-2 4-Ethenyl-2,3-dihydrobenzofuran230642-84-9 6-Methyl-1-indanone24623-20-9 4-Methyl-1-indanone24644-78-8 5,8-Dihydro-1-naphthol27673-48-9 2-Ethylbenzofuran3131-63-3

Elsewhere

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