chempirical

Diphenadione

C23H16O3CAS 82-66-6340.38 g/mol

Open in Covalent MOL file
OOO
Ketone

Properties

Molecular formula
C23H16O3
Molar mass
340.38 g/mol
Exact mass
340.1099 Da
Melting point
141–145 °C
logP
4.08Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
82-66-6
SMILES
O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIKey
JYGLAHSAISAEAL-UHFFFAOYSA-N
InChI
InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H

Weigh it out

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

Names and synonyms

23 names · show all
  • 1H-Indene-1,3(2H)-dione, 2-(2,2-diphenylacetyl)-
  • 1,3-Indandione, 2-(diphenylacetyl)-
  • 1H-Indene-1,3(2H)-dione, 2-(diphenylacetyl)-
  • 2-(2,2-Diphenylacetyl)-1H-indene-1,3(2H)-dione
  • U 1363
  • Didandin
  • Dipaxin
  • Diphacin
  • Diphacinone
  • Diphenacin
  • 2-(Diphenylacetyl)indan-1,3-dione
  • Ratindan 1
  • Diphenadion
  • Didion
  • Oragulant
  • Solvan
  • Ratindan
  • Diphacinon
  • NSC 9138
  • Pestoff ferret paste
  • NCI 9138
  • Diphenylacetylindandione
  • 2-(Diphenylacetyl)-1H-indene-1,3(2H)-dione

Work with Diphenadione

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

Chlorophacinone3691-35-879 % similar Phenindione83-12-557 % similar 2-Benzoyl-1H-indene-1,3(2H)-dione1785-95-155 % similar Pindone83-26-144 % similar Diphenylacetic acid117-34-042 % similar Diphenylacetyl chloride1871-76-742 % similar 1,1-Diphenylacetone781-35-142 % similar Desyl chloride447-31-440 % similar

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

Elsewhere

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