ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate

C26H30O6P2 — CID 162416286

IUPACethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate
SMILESCCOC(=O)C(c1ccccc1P(=O)(c1ccccc1)c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C26H30O6P2/c1-4-30-26(27)25(34(29,31-5-2)32-6-3)23-19-13-14-20-24(23)33(28,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-20,25H,4-6H2,1-3H3
InChIKeyORWFBSIEYHJGGM-UHFFFAOYSA-N
MW500.47 g/mol
LogP5.20
Rot. Bonds11

About ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate

ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate (PubChem CID 162416286) has the molecular formula C26H30O6P2 and a molecular weight of 500.47 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate
PubChem CID162416286
Molecular FormulaC26H30O6P2
Molecular Weight500.47 g/mol
Exact Mass500.15
IUPAC Nameethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate
SMILESCCOC(=O)C(c1ccccc1P(=O)(c1ccccc1)c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C26H30O6P2/c1-4-30-26(27)25(34(29,31-5-2)32-6-3)23-19-13-14-20-24(23)33(28,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-20,25H,4-6H2,1-3H3
InChIKeyORWFBSIEYHJGGM-UHFFFAOYSA-N
XLogP5.20
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-diethoxyphosphoryl-2-(3-methylphenyl)acetate
CID 125466808
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
ethyl 2-diethoxyphosphoryl-2-(3-fluorophenyl)acetate
CID 19920663
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957
ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate
CID 4210354
ethyl (2S)-2-diethoxyphosphoryl-2-(3-phenylpropoxy)acetate
CID 91246186
ethyl (E)-2-diethoxyphosphoryl-3-oxo-5-phenylpent-4-enoate
CID 10713093
ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
CID 129408619
ethyl 2-diethoxyphosphoryl-3-(4-phenylphenyl)butanoate
CID 11732201

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate?
The IUPAC name of ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate (CID 162416286) is ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate.
What is the SMILES notation for ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate?
The canonical SMILES for ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate is CCOC(=O)C(c1ccccc1P(=O)(c1ccccc1)c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate?
The InChIKey is ORWFBSIEYHJGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6P2/c1-4-30-26(27)25(34(29,31-5-2)32-6-3)23-19-13-14-20-24(23)33(28,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-20,25H,4-6H2,1-3H3.
What are the key properties of ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate?
ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate has a molecular weight of 500.47 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphoryl-2-(2-diphenylphosphorylphenyl)acetate is sourced from PubChem (CID 162416286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).