1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene

C24H36O9P2 — CID 14246803

IUPAC1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
SMILESCCOP(=O)(OCC)c1ccccc1OCCOCCOc1ccccc1P(=O)(OCC)OCC
InChIInChI=1S/C24H36O9P2/c1-5-30-34(25,31-6-2)23-15-11-9-13-21(23)28-19-17-27-18-20-29-22-14-10-12-16-24(22)35(26,32-7-3)33-8-4/h9-16H,5-8,17-20H2,1-4H3
InChIKeyFSULBNNKLSSWDX-UHFFFAOYSA-N
MW530.49 g/mol
LogP4.94
Rot. Bonds18

About 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene

1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene (PubChem CID 14246803) has the molecular formula C24H36O9P2 and a molecular weight of 530.49 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
PubChem CID14246803
Molecular FormulaC24H36O9P2
Molecular Weight530.49 g/mol
Exact Mass530.18
IUPAC Name1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
SMILESCCOP(=O)(OCC)c1ccccc1OCCOCCOc1ccccc1P(=O)(OCC)OCC
InChIInChI=1S/C24H36O9P2/c1-5-30-34(25,31-6-2)23-15-11-9-13-21(23)28-19-17-27-18-20-29-22-14-10-12-16-24(22)35(26,32-7-3)33-8-4/h9-16H,5-8,17-20H2,1-4H3
InChIKeyFSULBNNKLSSWDX-UHFFFAOYSA-N
XLogP4.94
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene (CID 14246803) is 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene is CCOP(=O)(OCC)c1ccccc1OCCOCCOc1ccccc1P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is FSULBNNKLSSWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O9P2/c1-5-30-34(25,31-6-2)23-15-11-9-13-21(23)28-19-17-27-18-20-29-22-14-10-12-16-24(22)35(26,32-7-3)33-8-4/h9-16H,5-8,17-20H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene?
1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 530.49 g/mol, XLogP of 4.94, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 14246803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).