2-diphenylphosphorylethyl(ethoxy)phosphinic acid

C16H20O4P2 — CID 102209255

IUPAC2-diphenylphosphorylethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20O4P2/c1-2-20-22(18,19)14-13-21(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,19)
InChIKeyZOHVYFBJHPOXBS-UHFFFAOYSA-N
MW338.28 g/mol
LogP3.22
Rot. Bonds7

About 2-diphenylphosphorylethyl(ethoxy)phosphinic acid

2-diphenylphosphorylethyl(ethoxy)phosphinic acid (PubChem CID 102209255) has the molecular formula C16H20O4P2 and a molecular weight of 338.28 g/mol. Its IUPAC name is 2-diphenylphosphorylethyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Name2-diphenylphosphorylethyl(ethoxy)phosphinic acid
PubChem CID102209255
Molecular FormulaC16H20O4P2
Molecular Weight338.28 g/mol
Exact Mass338.08
IUPAC Name2-diphenylphosphorylethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20O4P2/c1-2-20-22(18,19)14-13-21(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,19)
InChIKeyZOHVYFBJHPOXBS-UHFFFAOYSA-N
XLogP3.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
3-[ethoxy(phenyl)phosphoryl]propanamide
CID 132529059
[2-methoxyethoxymethyl(phenyl)phosphoryl]benzene
CID 4116161
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 89155670
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid
CID 59986294
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylethyl(ethoxy)phosphinic acid?
The IUPAC name of 2-diphenylphosphorylethyl(ethoxy)phosphinic acid (CID 102209255) is 2-diphenylphosphorylethyl(ethoxy)phosphinic acid.
What is the SMILES notation for 2-diphenylphosphorylethyl(ethoxy)phosphinic acid?
The canonical SMILES for 2-diphenylphosphorylethyl(ethoxy)phosphinic acid is CCOP(=O)(O)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphorylethyl(ethoxy)phosphinic acid?
The InChIKey is ZOHVYFBJHPOXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4P2/c1-2-20-22(18,19)14-13-21(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,19).
What are the key properties of 2-diphenylphosphorylethyl(ethoxy)phosphinic acid?
2-diphenylphosphorylethyl(ethoxy)phosphinic acid has a molecular weight of 338.28 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylethyl(ethoxy)phosphinic acid is sourced from PubChem (CID 102209255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).