[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene

C16H20O4P2 — CID 15362204

IUPAC[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
SMILESCOP(=O)(CCP(=O)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C16H20O4P2/c1-19-22(18,20-2)14-13-21(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyGLOOEFSPTSVQCO-UHFFFAOYSA-N
MW338.28 g/mol
LogP3.49
Rot. Bonds7

About [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene

[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene (PubChem CID 15362204) has the molecular formula C16H20O4P2 and a molecular weight of 338.28 g/mol. Its IUPAC name is [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
PubChem CID15362204
Molecular FormulaC16H20O4P2
Molecular Weight338.28 g/mol
Exact Mass338.08
IUPAC Name[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
SMILESCOP(=O)(CCP(=O)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C16H20O4P2/c1-19-22(18,20-2)14-13-21(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyGLOOEFSPTSVQCO-UHFFFAOYSA-N
XLogP3.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056
2-diphenylphosphorylethyl-dimethoxy-methylsilane
CID 13356480
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
1,3-bis[ethyl(phenyl)phosphoryl]benzene
CID 59816903
[2-bromoethyl(methoxy)phosphoryl]benzene
CID 101393723
[2-methoxyethoxymethyl(phenyl)phosphoryl]benzene
CID 4116161
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
2-dimethoxyphosphorylethyl benzoate
CID 174516392
N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine
CID 15502817

Frequently Asked Questions

What is the IUPAC name of [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene?
The IUPAC name of [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene (CID 15362204) is [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene is COP(=O)(CCP(=O)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene?
The InChIKey is GLOOEFSPTSVQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4P2/c1-19-22(18,20-2)14-13-21(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene?
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene has a molecular weight of 338.28 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 15362204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).