[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene

C32H36O5P2 — CID 15644731

IUPAC[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene
SMILESO=P(CCOCCOCCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36O5P2/c33-38(29-13-5-1-6-14-29,30-15-7-2-8-16-30)27-25-36-23-21-35-22-24-37-26-28-39(34,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyRGTJGXTYAJRDPB-UHFFFAOYSA-N
MW562.58 g/mol
LogP5.06
Rot. Bonds16

About [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene

[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene (PubChem CID 15644731) has the molecular formula C32H36O5P2 and a molecular weight of 562.58 g/mol. Its IUPAC name is [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene
PubChem CID15644731
Molecular FormulaC32H36O5P2
Molecular Weight562.58 g/mol
Exact Mass562.20
IUPAC Name[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene
SMILESO=P(CCOCCOCCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36O5P2/c33-38(29-13-5-1-6-14-29,30-15-7-2-8-16-30)27-25-36-23-21-35-22-24-37-26-28-39(34,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyRGTJGXTYAJRDPB-UHFFFAOYSA-N
XLogP5.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.58
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene?
The IUPAC name of [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene (CID 15644731) is [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene.
What is the SMILES notation for [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene?
The canonical SMILES for [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene is O=P(CCOCCOCCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene?
The InChIKey is RGTJGXTYAJRDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O5P2/c33-38(29-13-5-1-6-14-29,30-15-7-2-8-16-30)27-25-36-23-21-35-22-24-37-26-28-39(34,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20H,21-28H2.
What are the key properties of [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene?
[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene has a molecular weight of 562.58 g/mol, XLogP of 5.06, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene is sourced from PubChem (CID 15644731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).