chempirical

2-tert-Butylanthraquinone

C18H16O2CAS 84-47-9264.32 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C18H16O2
Molar mass
264.32 g/mol
Exact mass
264.1150 Da
Melting point
98 °C
logP
3.76Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
84-47-9
SMILES
CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey
YTPSFXZMJKMUJE-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • 9,10-Anthracenedione, 2-(1,1-dimethylethyl)-
  • Anthraquinone, 2-tert-butyl-
  • 2-(1,1-Dimethylethyl)-9,10-anthracenedione
  • β-tert-Butylanthraquinone
  • 2-tert-Butyl-9,10-anthraquinone
  • NSC 30548

Work with 2-tert-Butylanthraquinone

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-(1,1-Dimethylpropyl)-9,10-anthracenedione32588-54-864 % similar 4-tert-Butylphthalic anhydride32703-79-054 % similar 4-tert-Butylbenzophenone22679-54-553 % similar Anthraquinone84-65-152 % similar 2-Aminoanthraquinone117-79-350 % similar 2-Chloroanthraquinone131-09-950 % similar 2-Hydroxyanthraquinone605-32-350 % similar 2-Ethylanthraquinone84-51-550 % similar

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

Same formula

Cinnamyl cinnamate122-69-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook