chempirical

Fraxinol

C11H10O5CAS 486-28-2222.20 g/mol

Open in Covalent MOL file
OOOOHO
EtherPhenol

Properties

Molecular formula
C11H10O5
Molar mass
222.20 g/mol
Exact mass
222.0528 Da
Melting point
171–172 °C
logP
1.52Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
486-28-2
SMILES
COc1cc2oc(=O)ccc2c(OC)c1O
InChIKey
PBPNOAHYDPHKFH-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-
  • Coumarin, 6-hydroxy-5,7-dimethoxy-
  • 6-Hydroxy-5,7-dimethoxy-2H-1-benzopyran-2-one
  • 5,7-Dimethoxy-6-hydroxycoumarin
  • 6-Hydroxy-5,7-dimethoxycoumarin

Work with Fraxinol

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

Bergapten484-20-858 % similar Citropten487-06-957 % similar Fraxetin574-84-555 % similar Isoscopoletin776-86-355 % similar 6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one483-90-954 % similar Scoparone120-08-154 % similar Scopoletin92-61-551 % similar 6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one4281-40-748 % similar

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

Same formula

Isofraxidin486-21-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook