chempirical

2-Benzoyl-1H-indene-1,3(2H)-dione

C16H10O3CAS 1785-95-1250.25 g/mol

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OOO
Ketone

Properties

Molecular formula
C16H10O3
Molar mass
250.25 g/mol
Exact mass
250.0630 Da
Melting point
108 °C
logP
2.56Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1785-95-1
SMILES
O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIKey
UURMMRCWXJLUKF-UHFFFAOYSA-N
InChI
InChI=1S/C16H10O3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19/h1-9,13H

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Names and synonyms

6 names
  • 1H-Indene-1,3(2H)-dione, 2-benzoyl-
  • 1,3-Indandione, 2-benzoyl-
  • 2-Benzoyl-1,3-indandione
  • 2-Benzoylindandione
  • NSC 14011
  • NSC 631512

Work with 2-Benzoyl-1H-indene-1,3(2H)-dione

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

Diphenadione82-66-655 % similar Phenylglyoxal1075-06-554 % similar 2,2-Dichloroacetophenone2648-61-554 % similar Benzoylcyclopropane3481-02-554 % similar Isobutyrophenone611-70-154 % similar Phenindione83-12-554 % similar Diethyl 2-benzoylmalonate1087-97-450 % similar α-Bromopropiophenone2114-00-350 % similar

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

Elsewhere

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