chempirical

Chrysophanol

C15H10O4CAS 481-74-3254.24 g/mol

Open in Covalent MOL file
OHOOHO
KetonePhenol

Properties

Molecular formula
C15H10O4
Molar mass
254.24 g/mol
Exact mass
254.0579 Da
Melting point
196 °C
Water solubility
< 1 g/L (17.8 °C)
logP
2.18Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
481-74-3
SMILES
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIKey
LQGUBLBATBMXHT-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 9,10-Anthracenedione, 1,8-dihydroxy-3-methyl-
  • Anthraquinone, 1,8-dihydroxy-3-methyl-
  • 1,8-Dihydroxy-3-methyl-9,10-anthracenedione
  • C.I. 75400
  • Chrysophanic acid
  • C.I. Natural yellow 23
  • 1,8-Dihydroxy-3-methylanthraquinone
  • 3-Methylchrysazin
  • 3-Methyl-1,8-dihydroxyanthraquinone
  • Turkey rhubarb
  • 2-Methyl-4,5-dihydroxyanthraquinone
  • 4,5-Dihydroxy-2-methylanthraquinone
  • 1,8-Dihydroxy-3-methyl-9,10-anthraquinone
  • NSC 37132
  • NSC 646567

Work with Chrysophanol

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-Dihydroxyanthraquinone117-10-270 % similar Emodin518-82-168 % similar Rhein (molecule)478-43-362 % similar Aloe emodin481-72-162 % similar Parietin521-61-962 % similar Anthrarufin117-12-462 % similar 1-Hydroxyanthraquinone129-43-161 % similar Obtusifolin477-85-056 % similar

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

Same formula

Rubiadin117-02-2 4′,7-Dihydroxyflavone2196-14-7 7,8-Dihydroxyflavone38183-03-8 3',4'-Dihydroxyflavone4143-64-0 Chrysin480-40-0 Daidzein486-66-8 3,7-Dihydroxyflavone492-00-2

Elsewhere

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