[dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate

C11H18O7P2 — CID 10193340

IUPAC[dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C11H18O7P2/c1-14-19(12,15-2)11(10-8-6-5-7-9-10)18-20(13,16-3)17-4/h5-9,11H,1-4H3
InChIKeyXQVNTGISXNBAMR-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.59
Rot. Bonds8

About [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate

[dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate (PubChem CID 10193340) has the molecular formula C11H18O7P2 and a molecular weight of 324.21 g/mol. Its IUPAC name is [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate.

Molecular Properties

Compound Name[dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate
PubChem CID10193340
Molecular FormulaC11H18O7P2
Molecular Weight324.21 g/mol
Exact Mass324.05
IUPAC Name[dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C11H18O7P2/c1-14-19(12,15-2)11(10-8-6-5-7-9-10)18-20(13,16-3)17-4/h5-9,11H,1-4H3
InChIKeyXQVNTGISXNBAMR-UHFFFAOYSA-N
XLogP3.59
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl benzylphosphonate
CID 14122
Mifobate
CID 60910
Dibenzyl phosphate
CID 74189
Dibutyl P-(phenylmethyl)phosphonate
CID 123200
Tribenzyl phosphate
CID 74359
Diethyl (hydroxy(phenyl)methyl)phosphonate
CID 238674
Phosphinic acid, bis(hydroxyphenylmethyl)-
CID 120172
beta-Styrenephosphonic acid, dioctyl ester
CID 5381006
Benzyl diethyl phosphite
CID 76006
Dibutyl 2,2,2-trifluoro-1-phenylethyl phosphate
CID 14026658
[Hydroxy(phenyl)phosphonomethyl]phosphonic acid
CID 12521025
Diethyl 2,2,2-trifluoro-1-phenylethyl phosphate
CID 14026656

Frequently Asked Questions

What is the IUPAC name of [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate?
The IUPAC name of [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate (CID 10193340) is [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate.
What is the SMILES notation for [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate?
The canonical SMILES for [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate is COP(=O)(OC)OC(c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate?
The InChIKey is XQVNTGISXNBAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7P2/c1-14-19(12,15-2)11(10-8-6-5-7-9-10)18-20(13,16-3)17-4/h5-9,11H,1-4H3.
What are the key properties of [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate?
[dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate has a molecular weight of 324.21 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate is sourced from PubChem (CID 10193340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).