2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone

C13H19O4P — CID 11777901

IUPAC2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone
SMILESCCOP(=O)(CC(=O)c1ccc(C)cc1)OCC
InChIInChI=1S/C13H19O4P/c1-4-16-18(15,17-5-2)10-13(14)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyZOJILZNLJIOADL-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.44
Rot. Bonds7

About 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone

2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone (PubChem CID 11777901) has the molecular formula C13H19O4P and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone
PubChem CID11777901
Molecular FormulaC13H19O4P
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone
SMILESCCOP(=O)(CC(=O)c1ccc(C)cc1)OCC
InChIInChI=1S/C13H19O4P/c1-4-16-18(15,17-5-2)10-13(14)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyZOJILZNLJIOADL-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone (CID 11777901) is 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone is CCOP(=O)(CC(=O)c1ccc(C)cc1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone?
The InChIKey is ZOJILZNLJIOADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O4P/c1-4-16-18(15,17-5-2)10-13(14)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone?
2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone has a molecular weight of 270.26 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 11777901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).