chempirical

Chrysoeriol

C16H12O6CAS 491-71-4300.27 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
above 337 °C
logP
2.59Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

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
491-71-4
SMILES
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChIKey
SCZVLDHREVKTSH-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3

Weigh it out

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

Names and synonyms

9 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
  • Flavone, 4′,5,7-trihydroxy-3′-methoxy-
  • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • 3′-Methoxyapigenin
  • Luteolin 3′-methyl ether
  • 5,7,4′-Trihydroxy-3′-methoxyflavone
  • 3′-Methoxy-4′,5,7-trihydroxyflavone
  • Chrysoriol
  • 3′-O-Methylluteolin

Work with Chrysoeriol

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

Tricin520-32-177 % similar Acacetin480-44-475 % similar Luteolin491-70-372 % similar Jaceosidin18085-97-771 % similar 5-Hydroxy-3',4',7-trimethoxyflavone29080-58-869 % similar Apigenin520-36-567 % similar Bilobetin521-32-466 % similar Genkwanin437-64-965 % 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 Kaempferide491-54-3 Diosmetin520-34-3 Acetylsalicylsalicylic acid530-75-6 Tectorigenin548-77-6 Rhamnocitrin569-92-6

Elsewhere

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