chempirical

Acacetin

C16H12O5CAS 480-44-4284.27 g/mol

Open in Covalent MOL file
OOOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O5
Molar mass
284.27 g/mol
Exact mass
284.0685 Da
Melting point
263 °C
logP
2.88Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
480-44-4
SMILES
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
InChIKey
DANYIYRPLHHOCZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-
  • Flavone, 5,7-dihydroxy-4′-methoxy-
  • 5,7-Dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Buddleoflavonol
  • 5,7-Dihydroxy-4′-methoxyflavone
  • Linarigenin
  • Apigenin 4′-methyl ether
  • 4′-O-Methylapigenin
  • 4′-Methylapigenin
  • 2-(4-Methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • LY 064233
  • NSC 76061
  • 4′-O-Methyl-5,7,4′-trihydroxyflavone

Work with Acacetin

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

Chrysoeriol491-71-475 % similar Diosmetin520-34-375 % similar Apigenin520-36-574 % similar Isoginkgetin548-19-672 % similar Tricin520-32-169 % similar Chrysin480-40-069 % similar Techtochrysin520-28-569 % similar Pectolinarigenin520-12-768 % similar

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

Same formula

(-)-Maackiain2035-15-6 Calycosin20575-57-9 Glycitein40957-83-3 Genkwanin437-64-9 Obtusifolin477-85-0 Oroxylin A480-11-5 Biochanin A491-80-5 Parietin521-61-9

Elsewhere

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