[2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene

C28H28O4P2 — CID 608610

IUPAC[2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene
SMILESO=P(COCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O4P2/c29-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-31-21-22-32-24-34(30,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyPOPXCXWDTQAMPI-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.96
Rot. Bonds11

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

[2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene (PubChem CID 608610) has the molecular formula C28H28O4P2 and a molecular weight of 490.48 g/mol. Its IUPAC name is [2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene
PubChem CID608610
Molecular FormulaC28H28O4P2
Molecular Weight490.48 g/mol
Exact Mass490.15
IUPAC Name[2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene
SMILESO=P(COCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O4P2/c29-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-31-21-22-32-24-34(30,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyPOPXCXWDTQAMPI-UHFFFAOYSA-N
XLogP4.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene?
The IUPAC name of [2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene (CID 608610) is [2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene.
What is the SMILES notation for [2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene?
The canonical SMILES for [2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene is O=P(COCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene?
The InChIKey is POPXCXWDTQAMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O4P2/c29-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-31-21-22-32-24-34(30,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of [2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene?
[2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene has a molecular weight of 490.48 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diphenylphosphorylmethoxy)ethoxymethyl-phenylphosphoryl]benzene is sourced from PubChem (CID 608610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).