[4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane

C22H32O4P2 — CID 122230749

IUPAC[4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane
SMILESCCOP(Cc1ccc(-c2ccc(CP(OCC)OCC)cc2)cc1)OCC
InChIInChI=1S/C22H32O4P2/c1-5-23-27(24-6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-28(25-7-3)26-8-4/h9-16H,5-8,17-18H2,1-4H3
InChIKeyBGCZJOCGSHIBBW-UHFFFAOYSA-N
MW422.44 g/mol
LogP7.12
Rot. Bonds13

About [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane

[4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane (PubChem CID 122230749) has the molecular formula C22H32O4P2 and a molecular weight of 422.44 g/mol. Its IUPAC name is [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane.

Molecular Properties

Compound Name[4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane
PubChem CID122230749
Molecular FormulaC22H32O4P2
Molecular Weight422.44 g/mol
Exact Mass422.18
IUPAC Name[4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane
SMILESCCOP(Cc1ccc(-c2ccc(CP(OCC)OCC)cc2)cc1)OCC
InChIInChI=1S/C22H32O4P2/c1-5-23-27(24-6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-28(25-7-3)26-8-4/h9-16H,5-8,17-18H2,1-4H3
InChIKeyBGCZJOCGSHIBBW-UHFFFAOYSA-N
XLogP7.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane?
The IUPAC name of [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane (CID 122230749) is [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane.
What is the SMILES notation for [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane?
The canonical SMILES for [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane is CCOP(Cc1ccc(-c2ccc(CP(OCC)OCC)cc2)cc1)OCC.
What is the InChIKey of [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane?
The InChIKey is BGCZJOCGSHIBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4P2/c1-5-23-27(24-6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-28(25-7-3)26-8-4/h9-16H,5-8,17-18H2,1-4H3.
What are the key properties of [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane?
[4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane has a molecular weight of 422.44 g/mol, XLogP of 7.12, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(diethoxyphosphanylmethyl)phenyl]phenyl]methyl-diethoxyphosphane is sourced from PubChem (CID 122230749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).