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

C30H32O5P2 — CID 3089621

IUPAC[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene
SMILESO=P(COCCOCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O5P2/c31-36(27-13-5-1-6-14-27,28-15-7-2-8-16-28)25-34-23-21-33-22-24-35-26-37(32,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyDYEDWLJLJBYKSA-UHFFFAOYSA-N
MW534.53 g/mol
LogP4.98
Rot. Bonds14

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

[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene (PubChem CID 3089621) has the molecular formula C30H32O5P2 and a molecular weight of 534.53 g/mol. Its IUPAC name is [2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene
PubChem CID3089621
Molecular FormulaC30H32O5P2
Molecular Weight534.53 g/mol
Exact Mass534.17
IUPAC Name[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene
SMILESO=P(COCCOCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O5P2/c31-36(27-13-5-1-6-14-27,28-15-7-2-8-16-28)25-34-23-21-33-22-24-35-26-37(32,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyDYEDWLJLJBYKSA-UHFFFAOYSA-N
XLogP4.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.53
LogP ≤ 54.98
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-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene?
The IUPAC name of [2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene (CID 3089621) is [2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene.
What is the SMILES notation for [2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene?
The canonical SMILES for [2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene is O=P(COCCOCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene?
The InChIKey is DYEDWLJLJBYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O5P2/c31-36(27-13-5-1-6-14-27,28-15-7-2-8-16-28)25-34-23-21-33-22-24-35-26-37(32,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20H,21-26H2.
What are the key properties of [2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene?
[2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene has a molecular weight of 534.53 g/mol, XLogP of 4.98, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diphenylphosphorylmethoxy)ethoxy]ethoxymethyl-phenylphosphoryl]benzene is sourced from PubChem (CID 3089621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).