chempirical

Kaempferide

C16H12O6CAS 491-54-3300.27 g/mol

Open in Covalent MOL file
OOOHOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O6
Molar mass
300.27 g/mol
Exact mass
300.0634 Da
Melting point
227–229 °C
logP
2.59Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
491-54-3
SMILES
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1
InChIKey
SQFSKOYWJBQGKQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-
  • Flavone, 3,5,7-trihydroxy-4′-methoxy-
  • 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • 3,5,7-Trihydroxy-4′-methoxyflavone
  • Kaempferol 4′-methyl ether
  • Kaempferid
  • 4′-O-Methylkaempferol
  • 4′-Methylkaempferol
  • 4′-Methoxykaempferol
  • 5,7-Dihydroxy-4′-methoxyflavonol
  • NSC 407294
  • Kaempferol 4′-O-methyl ether
  • Kaempherol 4′-O-methyl ether
  • 4′-O-Methylkaempherol
  • 3,5,7-Trihydroxy-2-(4-methoxyphenyl)chromen-4-one
  • 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Work with Kaempferide

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

Isorhamnetin480-19-376 % similar Tamarixetin603-61-276 % similar Kaempferol520-18-376 % similar Galangin548-83-470 % similar Quercetin117-39-569 % similar Rhamnetin90-19-769 % similar Myricetin529-44-266 % similar Quercetin dihydrate6151-25-365 % similar

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

Same formula

Hispidulin1447-88-7 Luteolin 7-methyl ether20243-59-8 Geraldol21511-25-1 Chrysoeriol491-71-4 Diosmetin520-34-3 Acetylsalicylsalicylic acid530-75-6 Tectorigenin548-77-6 Rhamnocitrin569-92-6

Elsewhere

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