2,4,6-triphenyl-1,3-dioxane

C22H20O2 — CID 568919

IUPAC2,4,6-triphenyl-1,3-dioxane
SMILESc1ccc(C2CC(c3ccccc3)OC(c3ccccc3)O2)cc1
InChIInChI=1S/C22H20O2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2
InChIKeyJISOWUQFKXKMNL-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.60
Rot. Bonds3

About 2,4,6-triphenyl-1,3-dioxane

2,4,6-triphenyl-1,3-dioxane (PubChem CID 568919) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2,4,6-triphenyl-1,3-dioxane.

Molecular Properties

Compound Name2,4,6-triphenyl-1,3-dioxane
PubChem CID568919
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2,4,6-triphenyl-1,3-dioxane
SMILESc1ccc(C2CC(c3ccccc3)OC(c3ccccc3)O2)cc1
InChIInChI=1S/C22H20O2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2
InChIKeyJISOWUQFKXKMNL-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-1,3-dioxane?
The IUPAC name of 2,4,6-triphenyl-1,3-dioxane (CID 568919) is 2,4,6-triphenyl-1,3-dioxane.
What is the SMILES notation for 2,4,6-triphenyl-1,3-dioxane?
The canonical SMILES for 2,4,6-triphenyl-1,3-dioxane is c1ccc(C2CC(c3ccccc3)OC(c3ccccc3)O2)cc1.
What is the InChIKey of 2,4,6-triphenyl-1,3-dioxane?
The InChIKey is JISOWUQFKXKMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2.
What are the key properties of 2,4,6-triphenyl-1,3-dioxane?
2,4,6-triphenyl-1,3-dioxane has a molecular weight of 316.40 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-1,3-dioxane is sourced from PubChem (CID 568919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).