chempirical

Ipriflavone

C18H16O3CAS 35212-22-7280.32 g/mol

Open in Covalent MOL file
OOO
Ether

Properties

Molecular formula
C18H16O3
Molar mass
280.32 g/mol
Exact mass
280.1099 Da
Melting point
115–117 °C
logP
4.25Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
35212-22-7
SMILES
CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIKey
SFBODOKJTYAUCM-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 4H-1-Benzopyran-4-one, 7-(1-methylethoxy)-3-phenyl-
  • 7-(1-Methylethoxy)-3-phenyl-4H-1-benzopyran-4-one
  • 7-Isopropoxyisoflavone
  • FL 113
  • 7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one
  • TC 80
  • Osteofix
  • Osteofix (pharmaceutical)
  • Osten
  • Yambolap
  • Iprosten
  • TC 80 (pharmaceutical)
  • Iprivone
  • 3-Phenyl-7-propan-2-yloxychromen-4-one

Work with Ipriflavone

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

4′,7-Dimethoxyisoflavone1157-39-760 % similar 7-Hydroxyisoflavone13057-72-257 % similar Isoflavone574-12-956 % similar Formononetin485-72-351 % similar 5-Methyl-7-methoxyisoflavone82517-12-248 % similar Ononin486-62-448 % similar Daidzein486-66-847 % similar Daidzin552-66-947 % similar

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

Same formula

Phenprocoumon435-97-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook