chempirical

Bellidifolin

C14H10O6CAS 2798-25-6274.23 g/mol

Open in Covalent MOL file
OHOOHOOHO
EtherPhenol

Properties

Molecular formula
C14H10O6
Molar mass
274.23 g/mol
Exact mass
274.0477 Da
Melting point
270 °C
logP
2.07Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2798-25-6
SMILES
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1
InChIKey
JDIORNFCMMYMLF-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3

Weigh it out

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

Names and synonyms

8 names
  • 9H-Xanthen-9-one, 1,5,8-trihydroxy-3-methoxy-
  • Xanthen-9-one, 1,5,8-trihydroxy-3-methoxy-
  • 1,5,8-Trihydroxy-3-methoxy-9H-xanthen-9-one
  • Bellidifolium
  • Bellidifoline
  • 1,5,8-Trihydroxy-3-methoxyxanthone
  • Bellidifodin
  • 1,5,8-Trihydroxy-3-methoxyxanthen-9-one

Work with Bellidifolin

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

Demethylbellidifolin2980-32-764 % similar 1,8-Dihydroxy-3,7-dimethoxyxanthone22172-17-463 % similar Pachypodol33708-72-461 % similar Rhamnetin90-19-760 % similar Retusin (flavonol)1245-15-458 % similar Swertianolin23445-00-357 % similar Wedelolactone524-12-957 % similar Rhamnocitrin569-92-657 % similar

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

Same formula

4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-6 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-2

Elsewhere

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