Rubiadin

C₁₅H₁₀O₄CAS 117-02-2254.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₀O₄
Molar mass: 254.24 g/mol
Exact mass: 254.0579 Da
Melting point: 290 °C
logP: 2.18Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

117-02-2

SMILES

Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O

InChIKey

IRZTUXPRIUZXMP-UHFFFAOYSA-N

InChI

InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3

Weigh it out

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

Names and synonyms

7 names

9,10-Anthracenedione, 1,3-dihydroxy-2-methyl-
Anthraquinone, 1,3-dihydroxy-2-methyl-
1,3-Dihydroxy-2-methyl-9,10-anthracenedione
C.I. 75350
1,3-Dihydroxy-2-methylanthraquinone
Rubiadine
1,3-Dihydroxy-2-methyl-9,10-anthraquinone

Work with Rubiadin

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

Rubiadin 1-methyl ether7460-43-767 % similar Lucidin478-08-062 % similar Alizarin72-48-061 % similar Purpurin anthraquinone81-54-958 % similar 1,4-Dihydroxyanthraquinone81-64-153 % similar 1-Hydroxyanthraquinone129-43-153 % similar Alizarin red S130-22-348 % similar 9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid145-48-248 % similar

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

Same formula

4′,7-Dihydroxyflavone2196-14-7 7,8-Dihydroxyflavone38183-03-8 3',4'-Dihydroxyflavone4143-64-0 Chrysin480-40-0 Chrysophanol481-74-3 Daidzein486-66-8 3,7-Dihydroxyflavone492-00-2

Elsewhere

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