(2-diethoxyphosphoryl-1-phenylethyl) benzoate

C19H23O5P — CID 56963886

IUPAC(2-diethoxyphosphoryl-1-phenylethyl) benzoate
SMILESCCOP(=O)(CC(OC(=O)c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C19H23O5P/c1-3-22-25(21,23-4-2)15-18(16-11-7-5-8-12-16)24-19(20)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKeyQEOOFQZVRHPONH-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.85
Rot. Bonds9

About (2-diethoxyphosphoryl-1-phenylethyl) benzoate

(2-diethoxyphosphoryl-1-phenylethyl) benzoate (PubChem CID 56963886) has the molecular formula C19H23O5P and a molecular weight of 362.36 g/mol. Its IUPAC name is (2-diethoxyphosphoryl-1-phenylethyl) benzoate.

Molecular Properties

Compound Name(2-diethoxyphosphoryl-1-phenylethyl) benzoate
PubChem CID56963886
Molecular FormulaC19H23O5P
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name(2-diethoxyphosphoryl-1-phenylethyl) benzoate
SMILESCCOP(=O)(CC(OC(=O)c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C19H23O5P/c1-3-22-25(21,23-4-2)15-18(16-11-7-5-8-12-16)24-19(20)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKeyQEOOFQZVRHPONH-UHFFFAOYSA-N
XLogP4.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenylethyl) benzoate?
The IUPAC name of (2-diethoxyphosphoryl-1-phenylethyl) benzoate (CID 56963886) is (2-diethoxyphosphoryl-1-phenylethyl) benzoate.
What is the SMILES notation for (2-diethoxyphosphoryl-1-phenylethyl) benzoate?
The canonical SMILES for (2-diethoxyphosphoryl-1-phenylethyl) benzoate is CCOP(=O)(CC(OC(=O)c1ccccc1)c1ccccc1)OCC.
What is the InChIKey of (2-diethoxyphosphoryl-1-phenylethyl) benzoate?
The InChIKey is QEOOFQZVRHPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O5P/c1-3-22-25(21,23-4-2)15-18(16-11-7-5-8-12-16)24-19(20)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3.
What are the key properties of (2-diethoxyphosphoryl-1-phenylethyl) benzoate?
(2-diethoxyphosphoryl-1-phenylethyl) benzoate has a molecular weight of 362.36 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diethoxyphosphoryl-1-phenylethyl) benzoate is sourced from PubChem (CID 56963886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).