chempirical

Diphenyl phosphate

C12H11O4PCAS 838-85-7250.19 g/mol

Open in Covalent MOL file
OPHOOO
Phosphate

Properties

Molecular formula
C12H11O4P
Molar mass
250.19 g/mol
Exact mass
250.0395 Da
Melting point
67–68 °C
logP
3.24Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
838-85-7
SMILES
O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIKey
ASMQGLCHMVWBQR-UHFFFAOYSA-N
InChI
InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)

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Names and synonyms

4 names
  • Phosphoric acid, diphenyl ester
  • Phenyl phosphate ((PhO)2(HO)PO)
  • Diphenyl hydrogen phosphate
  • NSC 6518

Work with Diphenyl phosphate

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

Triphenyl phosphate115-86-656 % similar Phenyl phosphorodiamidate7450-69-356 % similar Bis(P-nitrophenyl) phosphate645-15-852 % similar Dibenzyl phosphate1623-08-150 % similar Diphenyl chlorophosphate2524-64-350 % similar Phenyl phosphorodichloridate770-12-750 % similar Resorcinol bis(diphenyl phosphate)57583-54-748 % similar (±)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-63-647 % similar

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

Elsewhere

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