4,5-diphenyl-1,3-dioxane

C16H16O2 — CID 11075572

IUPAC4,5-diphenyl-1,3-dioxane
SMILESc1ccc(C2COCOC2c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-3-7-13(8-4-1)15-11-17-12-18-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyROVSNPSNKHVKPO-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.52
Rot. Bonds2

About 4,5-diphenyl-1,3-dioxane

4,5-diphenyl-1,3-dioxane (PubChem CID 11075572) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4,5-diphenyl-1,3-dioxane.

Molecular Properties

Compound Name4,5-diphenyl-1,3-dioxane
PubChem CID11075572
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4,5-diphenyl-1,3-dioxane
SMILESc1ccc(C2COCOC2c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-3-7-13(8-4-1)15-11-17-12-18-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyROVSNPSNKHVKPO-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1,3-dioxane?
The IUPAC name of 4,5-diphenyl-1,3-dioxane (CID 11075572) is 4,5-diphenyl-1,3-dioxane.
What is the SMILES notation for 4,5-diphenyl-1,3-dioxane?
The canonical SMILES for 4,5-diphenyl-1,3-dioxane is c1ccc(C2COCOC2c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1,3-dioxane?
The InChIKey is ROVSNPSNKHVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-7-13(8-4-1)15-11-17-12-18-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of 4,5-diphenyl-1,3-dioxane?
4,5-diphenyl-1,3-dioxane has a molecular weight of 240.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1,3-dioxane is sourced from PubChem (CID 11075572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).