chempirical

Propiophenone

C9H10OCAS 93-55-0134.18 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Density
1.008 g/mL (at 16 °C)
Melting point
21 °C
Boiling point
218 °C
logP
2.28Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
93-55-0
SMILES
CCC(=O)c1ccccc1
InChIKey
KRIOVPPHQSLHCZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1-Propanone, 1-phenyl-
  • 1-Phenyl-1-propanone
  • Ethyl phenyl ketone
  • Phenyl ethyl ketone
  • Propionylbenzene
  • NSC 16937
  • Propriophenone

Work with Propiophenone

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

Similar compounds

1-[1,1′-Biphenyl]-4-yl-1-propanone37940-57-177 % similar Butyrophenone495-40-963 % similar 4′-Methylpropiophenone5337-93-963 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-363 % similar 1,4-Diphenyl-1,4-butanedione495-71-663 % similar 4′-Bromopropiophenone10342-83-361 % similar 1-(4-Fluorophenyl)-1-propanone456-03-161 % similar 1-(4-Chlorophenyl)-1-propanone6285-05-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia