[2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene

C32H36O6P2 — CID 3146921

IUPAC[2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene
SMILESO=P(COCCOCCOCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36O6P2/c33-39(29-13-5-1-6-14-29,30-15-7-2-8-16-30)27-37-25-23-35-21-22-36-24-26-38-28-40(34,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyMGNUEYOLWSREKF-UHFFFAOYSA-N
MW578.58 g/mol
LogP5.00
Rot. Bonds17

About [2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene

[2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene (PubChem CID 3146921) has the molecular formula C32H36O6P2 and a molecular weight of 578.58 g/mol. Its IUPAC name is [2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene
PubChem CID3146921
Molecular FormulaC32H36O6P2
Molecular Weight578.58 g/mol
Exact Mass578.20
IUPAC Name[2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene
SMILESO=P(COCCOCCOCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36O6P2/c33-39(29-13-5-1-6-14-29,30-15-7-2-8-16-30)27-37-25-23-35-21-22-36-24-26-38-28-40(34,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyMGNUEYOLWSREKF-UHFFFAOYSA-N
XLogP5.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene?
The IUPAC name of [2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene (CID 3146921) is [2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene.
What is the SMILES notation for [2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene?
The canonical SMILES for [2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene is O=P(COCCOCCOCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene?
The InChIKey is MGNUEYOLWSREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O6P2/c33-39(29-13-5-1-6-14-29,30-15-7-2-8-16-30)27-37-25-23-35-21-22-36-24-26-38-28-40(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-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene?
[2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene has a molecular weight of 578.58 g/mol, XLogP of 5.00, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxy]ethoxymethyl-phenylphosphoryl]benzene is sourced from PubChem (CID 3146921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).