Dicoumarol

C19H12O6CAS 66-76-2336.30 g/mol

Open in Covalent MOL file
OOOHOHOO
Phenol

Properties

Molecular formula
C19H12O6
Molar mass
336.30 g/mol
Exact mass
336.0634 Da
Melting point
287–293 °C
logP
2.90Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 607-060-00-2), via PubChem.

Precautionary statements

P260, P264, P270, P273, P301+P317, P319, P330, P391, P501

Identifiers

CAS number
66-76-2
SMILES
O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O
InChIKey
DOBMPNYZJYQDGZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2

Weigh it out

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

Names and synonyms

33 names · show all
  • 2H-1-Benzopyran-2-one, 3,3′-methylenebis[4-hydroxy-
  • Coumarin, 3,3′-methylenebis[4-hydroxy-
  • 3,3′-Methylenebis[4-hydroxy-2H-1-benzopyran-2-one]
  • Acadyl
  • Bishydroxycoumarin
  • Bis(4-hydroxycoumarin-3-yl)methane
  • Dicoumarin
  • Dicumarine
  • Di-4-hydroxy-3,3′-methylenedicoumarin
  • 3,3′-Methylenebis[4-hydroxy-1,2-benzopyrone]
  • 3,3′-Methylenebis[4-hydroxycoumarin]
  • Dicumarol
  • Bis-3,3′-(4-hydroxycoumarinyl)methane
  • Cumid
  • Dicuman
  • Dicumol
  • Melitoxin
  • Acavyl
  • Antitrombosin
  • Kumoran
  • Baracoumin
  • Cuma
  • Temparin
  • Trombosan
  • Dicoumal
  • NC 034
  • NSC 41834
  • Dufalone
  • NSC 17860
  • NSC 221570
  • 3,3′-Methylenebis(4-hydroxy-2H-chromen-2-one)
  • PB 2-9
  • 3,3′-Methylene-bis-(4-hydroxy-2H-benzopyran-2-one)

Work with Dicoumarol

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

4-Hydroxy-3-nitrocoumarin20261-31-854 % similar Phenprocoumon435-97-251 % similar Coumatetralyl5836-29-348 % similar (-)-Warfarin5543-57-746 % similar (±)-Warfarin81-81-246 % similar 3-Hydroxyflavone577-85-544 % similar (+-)-Coumachlor81-82-342 % similar Urolithin B1139-83-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook