chempirical

Phenprocoumon

C18H16O3CAS 435-97-2280.32 g/mol

Open in Covalent MOL file
HOOO
Phenol

Properties

Molecular formula
C18H16O3
Molar mass
280.32 g/mol
Exact mass
280.1099 Da
Melting point
179–180 °C
logP
4.04Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
435-97-2
SMILES
CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIKey
DQDAYGNAKTZFIW-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3

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

Names and synonyms

18 names · show all
  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-
  • Coumarin, 3-(α-ethylbenzyl)-4-hydroxy-
  • 4-Hydroxy-3-(1-phenylpropyl)-2H-1-benzopyran-2-one
  • 3-(α-Ethylbenzyl)-4-hydroxycoumarin
  • Falithrom
  • Liquamar
  • Marcoumar
  • Marcumar
  • Phenprocoumarol
  • 3-(1-Phenylpropyl)-4-hydroxycoumarin
  • Phenprocoumarole
  • 3-(α-Phenylpropyl)-4-hydroxycoumarin
  • 4-Hydroxy-2-oxo-3-(1-phenylpropyl)-2H-chromene
  • Fencumar
  • Ro 1-4849
  • (±)-Phenprocoumon
  • DL-3-(α-Ethylbenzyl)-4-hydroxycoumarin
  • BS 7565

Work with Phenprocoumon

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

(-)-Warfarin5543-57-769 % similar (±)-Warfarin81-81-269 % similar Bromadiolone28772-56-758 % similar Coumachlor81-82-357 % similar Coumatetralyl5836-29-356 % similar Difenacoum56073-07-553 % similar (±)-Acenocoumarol152-72-752 % similar Dicoumarol66-76-251 % similar

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

Same formula

Ipriflavone35212-22-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook