chempirical

Rhein (molecule)

C15H8O6CAS 478-43-3284.22 g/mol

Open in Covalent MOL file
OHOOHOOHO
Carboxylic acidKetonePhenol

Properties

Molecular formula
C15H8O6
Molar mass
284.22 g/mol
Exact mass
284.0321 Da
Melting point
321–321.5 °C (sublimes)
logP
1.57Crippen estimate
Polar surface area
111.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
478-43-3
SMILES
O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIKey
FCDLCPWAQCPTKC-UHFFFAOYSA-N
InChI
InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)

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

Names and synonyms

15 names · show all
  • 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-
  • 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-
  • 2-Anthraquinonecarboxylic acid, 4,5-dihydroxy-
  • 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid
  • Cassic acid
  • Chrysazin-3-carboxylic acid
  • 1,8-Dihydroxyanthraquinone-3-carboxylic acid
  • Monorhein
  • Rheic acid
  • Rhein
  • Rhubarb yellow
  • 4,5-Dihydroxy-2-anthraquinonecarboxylic acid
  • 1,8-Dihydroxy-3-carboxyanthraquinone
  • NSC 38629
  • Rheinic acid

Work with Rhein (molecule)

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

1,8-Dihydroxyanthraquinone117-10-266 % similar Chrysophanol481-74-362 % similar Aloe emodin481-72-159 % similar Anthrarufin117-12-458 % similar 1-Hydroxyanthraquinone129-43-158 % similar Diacerein13739-02-154 % similar 2,6-Dihydroxybenzoic acid303-07-151 % similar 2-Anthraquinonecarboxylic acid117-78-251 % similar

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

Elsewhere

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