chempirical

2-Ethylanthraquinone

C16H12O2CAS 84-51-5236.27 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C16H12O2
Molar mass
236.27 g/mol
Exact mass
236.0837 Da
Melting point
108–111 °C
logP
3.02Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
84-51-5
SMILES
CCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey
SJEBAWHUJDUKQK-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 9,10-Anthracenedione, 2-ethyl-
  • Anthraquinone, 2-ethyl-
  • 2-Ethyl-9,10-anthracenedione
  • 2-Ethyl-9,10-anthraquinone
  • β-Ethylanthraquinone
  • Kayacure 2-EAQ
  • NSC 7216
  • 2-EAQ
  • 2-Ethylanthracene-9,10-dione
  • 2-Ethyl-9,10-dihydroanthracene-9,10-dione

Work with 2-Ethylanthraquinone

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

2-Pentyl-9,10-anthracenedione13936-21-566 % similar 2-(Hydroxymethyl)anthraquinone17241-59-764 % similar 4-Ethylbenzophenone18220-90-153 % similar Anthraquinone84-65-152 % similar 2-(1,1-Dimethylpropyl)-9,10-anthracenedione32588-54-851 % similar 2-Aminoanthraquinone117-79-350 % similar 2-Chloroanthraquinone131-09-950 % similar 2-Hydroxyanthraquinone605-32-350 % similar

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

Same formula

1,4-Diphenyl-2-butene-1,4-dione4070-75-1 2,3-Dimethylanthraquinone6531-35-7 trans-1,2-Dibenzoylethylene959-28-4

Elsewhere

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