methyl 2-diphenylphosphorylacetate

C15H15O3P — CID 796942

IUPACmethyl 2-diphenylphosphorylacetate
SMILESCOC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O3P/c1-18-15(16)12-19(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyRWAQJFDCPSWZJD-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.17
Rot. Bonds4

About methyl 2-diphenylphosphorylacetate

methyl 2-diphenylphosphorylacetate (PubChem CID 796942) has the molecular formula C15H15O3P and a molecular weight of 274.26 g/mol. Its IUPAC name is methyl 2-diphenylphosphorylacetate.

Molecular Properties

Compound Namemethyl 2-diphenylphosphorylacetate
PubChem CID796942
Molecular FormulaC15H15O3P
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC Namemethyl 2-diphenylphosphorylacetate
SMILESCOC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O3P/c1-18-15(16)12-19(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyRWAQJFDCPSWZJD-UHFFFAOYSA-N
XLogP2.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.17
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 methyl 2-diphenylphosphorylacetate?
The IUPAC name of methyl 2-diphenylphosphorylacetate (CID 796942) is methyl 2-diphenylphosphorylacetate.
What is the SMILES notation for methyl 2-diphenylphosphorylacetate?
The canonical SMILES for methyl 2-diphenylphosphorylacetate is COC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-diphenylphosphorylacetate?
The InChIKey is RWAQJFDCPSWZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3P/c1-18-15(16)12-19(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of methyl 2-diphenylphosphorylacetate?
methyl 2-diphenylphosphorylacetate has a molecular weight of 274.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diphenylphosphorylacetate is sourced from PubChem (CID 796942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).