2-(4-diphenylphosphorylphenyl)-1,3-dioxolane

C21H19O3P — CID 169083681

IUPAC2-(4-diphenylphosphorylphenyl)-1,3-dioxolane
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C21H19O3P/c22-25(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-13-11-17(12-14-20)21-23-15-16-24-21/h1-14,21H,15-16H2
InChIKeyUPTCNOSFSQJGEI-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane

2-(4-diphenylphosphorylphenyl)-1,3-dioxolane (PubChem CID 169083681) has the molecular formula C21H19O3P and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-diphenylphosphorylphenyl)-1,3-dioxolane
PubChem CID169083681
Molecular FormulaC21H19O3P
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name2-(4-diphenylphosphorylphenyl)-1,3-dioxolane
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C21H19O3P/c22-25(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-13-11-17(12-14-20)21-23-15-16-24-21/h1-14,21H,15-16H2
InChIKeyUPTCNOSFSQJGEI-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-diphenylphosphorylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane (CID 169083681) is 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane is O=P(c1ccccc1)(c1ccccc1)c1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane?
The InChIKey is UPTCNOSFSQJGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O3P/c22-25(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-13-11-17(12-14-20)21-23-15-16-24-21/h1-14,21H,15-16H2.
What are the key properties of 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane?
2-(4-diphenylphosphorylphenyl)-1,3-dioxolane has a molecular weight of 350.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diphenylphosphorylphenyl)-1,3-dioxolane is sourced from PubChem (CID 169083681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).