ethyl 2-diphenylphosphorylacetate

C16H17O3P — CID 796941

IUPACethyl 2-diphenylphosphorylacetate
SMILESCCOC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c1-2-19-16(17)13-20(18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyWYOVIIWQEUXLET-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.56
Rot. Bonds5

About ethyl 2-diphenylphosphorylacetate

ethyl 2-diphenylphosphorylacetate (PubChem CID 796941) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is ethyl 2-diphenylphosphorylacetate.

Molecular Properties

Compound Nameethyl 2-diphenylphosphorylacetate
PubChem CID796941
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-diphenylphosphorylacetate
SMILESCCOC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c1-2-19-16(17)13-20(18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyWYOVIIWQEUXLET-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-diphenylphosphorylacetate?
The IUPAC name of ethyl 2-diphenylphosphorylacetate (CID 796941) is ethyl 2-diphenylphosphorylacetate.
What is the SMILES notation for ethyl 2-diphenylphosphorylacetate?
The canonical SMILES for ethyl 2-diphenylphosphorylacetate is CCOC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-diphenylphosphorylacetate?
The InChIKey is WYOVIIWQEUXLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-2-19-16(17)13-20(18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 2-diphenylphosphorylacetate?
ethyl 2-diphenylphosphorylacetate has a molecular weight of 288.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diphenylphosphorylacetate is sourced from PubChem (CID 796941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).