chempirical

9-Acetylphenanthrene

C16H12OCAS 2039-77-2220.27 g/mol

Open in Covalent MOL file
O
Ketone

Properties

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

Identifiers

CAS number
2039-77-2
SMILES
CC(=O)C1=CC2=CC=CC=C2C3=CC=CC=C31
InChIKey
UIFAWZBYTTXSOG-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O/c1-11(17)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-10H,1H3

Weigh it out

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

Names and synonyms

11 names
  • 1-Phenanthren-9-ylethanone
  • Methyl 9-phenanthryl ketone
  • 1-(Phenanthren-9-yl)ethanone
  • Ethanone, 1-(9-phenanthrenyl)-
  • 1-(9-Phenanthryl)ethanone
  • 1-(Phenanthren-9-yl)ethan-1-one
  • Ketone, methyl 9-phenanthryl
  • 9-Acetylphenanthren
  • 9-Acetyl-phenanthren
  • 1-(9-Phenanthrenyl)ethanone
  • 1-Phenanthren-9-yl-ethanone

Work with 9-Acetylphenanthrene

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-Acetylnaphthalene941-98-061 % similar 1,2-Diacetylbenzene704-00-754 % similar 2-Acetylnaphthalene93-08-352 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-551 % similar 3-Acetylcoumarin3949-36-850 % similar 2′-Chloroacetophenone2142-68-948 % similar 2′-Aminoacetophenone551-93-948 % similar 3-Acetylindole703-80-047 % similar

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

Same formula

1-[4-(2-Phenylethynyl)phenyl]ethanone1942-31-0 9-Acetylanthracene784-04-3 2,5-Diphenylfuran955-83-9

Elsewhere

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