chempirical

9-Acetylanthracene

C16H12OCAS 784-04-3220.27 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C16H12O
Molar mass
220.27 g/mol
Exact mass
220.0888 Da
Melting point
78 °C
logP
4.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
784-04-3
SMILES
CC(=O)c1c2ccccc2cc2ccccc12
InChIKey
NXXNVJDXUHMAHU-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3

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Names and synonyms

6 names
  • Ethanone, 1-(9-anthracenyl)-
  • Ketone, 9-anthryl methyl
  • 1-(9-Anthracenyl)ethanone
  • 9-Anthryl methyl ketone
  • NSC 1143
  • NSC 13246

Reactions

Work with 9-Acetylanthracene

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

9-Anthracenecarboxylic acid723-62-655 % similar 1-Acetylnaphthalene941-98-055 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-350 % similar 2-Acetylnaphthalene93-08-350 % similar 1,2-Diacetylbenzene704-00-746 % similar 2-Acetylbenzofuran1646-26-046 % similar 2-Acetylbenzothiophene22720-75-846 % similar 9-Methylanthracene779-02-245 % similar

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

Same formula

1-[4-(2-Phenylethynyl)phenyl]ethanone1942-31-0 9-Acetylphenanthrene2039-77-2 2,5-Diphenylfuran955-83-9

Elsewhere

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