[2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane

C38H32O2P2 — CID 54275242

IUPAC[2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane
SMILESc1ccc(P(COc2ccccc2-c2ccccc2OCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H32O2P2/c1-5-17-31(18-6-1)41(32-19-7-2-8-20-32)29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)40-30-42(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H,29-30H2
InChIKeyRMYDYVVWYGFIDY-UHFFFAOYSA-N
MW582.62 g/mol
LogP8.29
Rot. Bonds11

About [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane

[2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane (PubChem CID 54275242) has the molecular formula C38H32O2P2 and a molecular weight of 582.62 g/mol. Its IUPAC name is [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane
PubChem CID54275242
Molecular FormulaC38H32O2P2
Molecular Weight582.62 g/mol
Exact Mass582.19
IUPAC Name[2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane
SMILESc1ccc(P(COc2ccccc2-c2ccccc2OCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H32O2P2/c1-5-17-31(18-6-1)41(32-19-7-2-8-20-32)29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)40-30-42(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H,29-30H2
InChIKeyRMYDYVVWYGFIDY-UHFFFAOYSA-N
XLogP8.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.62
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane?
The IUPAC name of [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane (CID 54275242) is [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane.
What is the SMILES notation for [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane?
The canonical SMILES for [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane is c1ccc(P(COc2ccccc2-c2ccccc2OCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane?
The InChIKey is RMYDYVVWYGFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O2P2/c1-5-17-31(18-6-1)41(32-19-7-2-8-20-32)29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)40-30-42(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H,29-30H2.
What are the key properties of [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane?
[2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane has a molecular weight of 582.62 g/mol, XLogP of 8.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diphenylphosphanylmethoxy)phenyl]phenoxy]methyl-diphenylphosphane is sourced from PubChem (CID 54275242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).