1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene

C22H24O5P2 — CID 14837765

IUPAC1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene
SMILESCCOP(=O)(OCC)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24O5P2/c1-3-25-29(24,26-4-2)22-18-12-11-17-21(22)27-28(23,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,3-4H2,1-2H3
InChIKeyBFHWWUUIWFBPKN-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.89
Rot. Bonds9

About 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene

1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene (PubChem CID 14837765) has the molecular formula C22H24O5P2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene
PubChem CID14837765
Molecular FormulaC22H24O5P2
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC Name1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene
SMILESCCOP(=O)(OCC)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24O5P2/c1-3-25-29(24,26-4-2)22-18-12-11-17-21(22)27-28(23,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,3-4H2,1-2H3
InChIKeyBFHWWUUIWFBPKN-UHFFFAOYSA-N
XLogP4.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene?
The IUPAC name of 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene (CID 14837765) is 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene.
What is the SMILES notation for 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene?
The canonical SMILES for 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene is CCOP(=O)(OCC)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene?
The InChIKey is BFHWWUUIWFBPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5P2/c1-3-25-29(24,26-4-2)22-18-12-11-17-21(22)27-28(23,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene?
1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene has a molecular weight of 430.38 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-diphenylphosphoryloxybenzene is sourced from PubChem (CID 14837765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).