1-Phenyl-2-buten-1-one

C10H10OCAS 495-41-0146.19 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C10H10O
Molar mass
146.19 g/mol
Exact mass
146.0732 Da
Density
1.025 g/mL (at 15 °C)
Melting point
20.5 °C
Boiling point
135 °C (at 20 Torr)
logP
2.45Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
495-41-0
SMILES
CC=CC(=O)c1ccccc1
InChIKey
FUJZJBCWPIOHHN-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • 2-Buten-1-one, 1-phenyl-
  • Crotonophenone
  • Phenyl propenyl ketone
  • Ethylideneacetophenone
  • Phenyl 1-propenyl ketone
  • 2-Butenophenone
  • 1-Benzoylpropene
  • 1-Propenyl phenyl ketone
  • NSC 518668

Work with 1-Phenyl-2-buten-1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diphenyl-2-butene-1,4-dione4070-75-174 % similar trans-1,2-Dibenzoylethylene959-28-474 % similar trans-Chalcone614-47-163 % similar Chalcone94-41-763 % similar 4-Oxo-4-phenyl-2-butenoic acid583-06-257 % similar 1,5-Diphenyl-2,4-pentadien-1-one614-57-357 % similar Phenylglyoxal1074-12-056 % similar 4-Fluorochalcone1608-51-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Methylcinnamaldehyde101-39-3 4-Phenyl-3-buten-2-one122-57-6 2-Phenyl-3-butyn-2-ol127-66-2 trans-4-Phenyl-3-buten-2-one1896-62-4 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook