2-diphenylphosphoryl-1,3-dioxane

C16H17O3P — CID 14383530

IUPAC2-diphenylphosphoryl-1,3-dioxane
SMILESO=P(c1ccccc1)(c1ccccc1)C1OCCCO1
InChIInChI=1S/C16H17O3P/c17-20(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-18-12-7-13-19-16/h1-6,8-11,16H,7,12-13H2
InChIKeyPYFXDOWLSLTVRQ-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.72
Rot. Bonds3

About 2-diphenylphosphoryl-1,3-dioxane

2-diphenylphosphoryl-1,3-dioxane (PubChem CID 14383530) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1,3-dioxane.

Molecular Properties

Compound Name2-diphenylphosphoryl-1,3-dioxane
PubChem CID14383530
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-diphenylphosphoryl-1,3-dioxane
SMILESO=P(c1ccccc1)(c1ccccc1)C1OCCCO1
InChIInChI=1S/C16H17O3P/c17-20(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-18-12-7-13-19-16/h1-6,8-11,16H,7,12-13H2
InChIKeyPYFXDOWLSLTVRQ-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.72
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-diphenylphosphoryl-1,3-dioxane?
The IUPAC name of 2-diphenylphosphoryl-1,3-dioxane (CID 14383530) is 2-diphenylphosphoryl-1,3-dioxane.
What is the SMILES notation for 2-diphenylphosphoryl-1,3-dioxane?
The canonical SMILES for 2-diphenylphosphoryl-1,3-dioxane is O=P(c1ccccc1)(c1ccccc1)C1OCCCO1.
What is the InChIKey of 2-diphenylphosphoryl-1,3-dioxane?
The InChIKey is PYFXDOWLSLTVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c17-20(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-18-12-7-13-19-16/h1-6,8-11,16H,7,12-13H2.
What are the key properties of 2-diphenylphosphoryl-1,3-dioxane?
2-diphenylphosphoryl-1,3-dioxane has a molecular weight of 288.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1,3-dioxane is sourced from PubChem (CID 14383530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).