[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate

C11H17ClO7P2 — CID 76958127

IUPAC[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
SMILESCOP(=O)(OC)O[C@H](c1ccc(Cl)cc1)P(=O)(OC)OC
InChIInChI=1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3/t11-/m0/s1
InChIKeyVQHUQHAPWMNBLP-NSHDSACASA-N
MW358.65 g/mol
LogP4.24
Rot. Bonds8

About [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate

[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate (PubChem CID 76958127) has the molecular formula C11H17ClO7P2 and a molecular weight of 358.65 g/mol. Its IUPAC name is [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate.

Molecular Properties

Compound Name[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
PubChem CID76958127
Molecular FormulaC11H17ClO7P2
Molecular Weight358.65 g/mol
Exact Mass358.01
IUPAC Name[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
SMILESCOP(=O)(OC)O[C@H](c1ccc(Cl)cc1)P(=O)(OC)OC
InChIInChI=1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3/t11-/m0/s1
InChIKeyVQHUQHAPWMNBLP-NSHDSACASA-N
XLogP4.24
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate
CID 46237200
[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate
CID 91135841
1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
CID 10193691
[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate
CID 175482613
4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol
CID 46939615
(1S)-N-benzyl-1-(4-chlorophenyl)-1-dimethoxyphosphorylmethanamine
CID 139054525
[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate
CID 134934512
1-[(1R)-1-[amino(methyl)phosphoryl]oxy-2,2,2-trifluoroethyl]-4-chlorobenzene
CID 11864606
[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
CID 7018978
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
[dimethoxyphosphoryl(phenyl)methyl] acetate
CID 10923196

Frequently Asked Questions

What is the IUPAC name of [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate?
The IUPAC name of [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate (CID 76958127) is [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate.
What is the SMILES notation for [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate?
The canonical SMILES for [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate is COP(=O)(OC)O[C@H](c1ccc(Cl)cc1)P(=O)(OC)OC.
What is the InChIKey of [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate?
The InChIKey is VQHUQHAPWMNBLP-NSHDSACASA-N. The full InChI is InChI=1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3/t11-/m0/s1.
What are the key properties of [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate?
[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate has a molecular weight of 358.65 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate is sourced from PubChem (CID 76958127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).