1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene

C18H24O5P2 — CID 12651419

IUPAC1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
SMILESCCOP(=O)(OCC)c1ccccc1P(=O)(OCC)c1ccccc1
InChIInChI=1S/C18H24O5P2/c1-4-21-24(19,16-12-8-7-9-13-16)17-14-10-11-15-18(17)25(20,22-5-2)23-6-3/h7-15H,4-6H2,1-3H3
InChIKeyQWRWWDVGMXCDTE-UHFFFAOYSA-N
MW382.33 g/mol
LogP3.84
Rot. Bonds9

About 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene

1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene (PubChem CID 12651419) has the molecular formula C18H24O5P2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
PubChem CID12651419
Molecular FormulaC18H24O5P2
Molecular Weight382.33 g/mol
Exact Mass382.11
IUPAC Name1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
SMILESCCOP(=O)(OCC)c1ccccc1P(=O)(OCC)c1ccccc1
InChIInChI=1S/C18H24O5P2/c1-4-21-24(19,16-12-8-7-9-13-16)17-14-10-11-15-18(17)25(20,22-5-2)23-6-3/h7-15H,4-6H2,1-3H3
InChIKeyQWRWWDVGMXCDTE-UHFFFAOYSA-N
XLogP3.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene?
The IUPAC name of 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene (CID 12651419) is 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene.
What is the SMILES notation for 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene?
The canonical SMILES for 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene is CCOP(=O)(OCC)c1ccccc1P(=O)(OCC)c1ccccc1.
What is the InChIKey of 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene?
The InChIKey is QWRWWDVGMXCDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5P2/c1-4-21-24(19,16-12-8-7-9-13-16)17-14-10-11-15-18(17)25(20,22-5-2)23-6-3/h7-15H,4-6H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene?
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene has a molecular weight of 382.33 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene is sourced from PubChem (CID 12651419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).