2,5-dimethoxy-2,5-diphenyl-1,4-dioxane

C18H20O4 — CID 5059104

IUPAC2,5-dimethoxy-2,5-diphenyl-1,4-dioxane
SMILESCOC1(c2ccccc2)COC(OC)(c2ccccc2)CO1
InChIInChI=1S/C18H20O4/c1-19-17(15-9-5-3-6-10-15)13-22-18(20-2,14-21-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyWWQNOCASWXDJGK-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.03
Rot. Bonds4

About 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane

2,5-dimethoxy-2,5-diphenyl-1,4-dioxane (PubChem CID 5059104) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane.

Molecular Properties

Compound Name2,5-dimethoxy-2,5-diphenyl-1,4-dioxane
PubChem CID5059104
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,5-dimethoxy-2,5-diphenyl-1,4-dioxane
SMILESCOC1(c2ccccc2)COC(OC)(c2ccccc2)CO1
InChIInChI=1S/C18H20O4/c1-19-17(15-9-5-3-6-10-15)13-22-18(20-2,14-21-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyWWQNOCASWXDJGK-UHFFFAOYSA-N
XLogP3.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane?
The IUPAC name of 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane (CID 5059104) is 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane.
What is the SMILES notation for 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane?
The canonical SMILES for 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane is COC1(c2ccccc2)COC(OC)(c2ccccc2)CO1.
What is the InChIKey of 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane?
The InChIKey is WWQNOCASWXDJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-17(15-9-5-3-6-10-15)13-22-18(20-2,14-21-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane?
2,5-dimethoxy-2,5-diphenyl-1,4-dioxane has a molecular weight of 300.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-2,5-diphenyl-1,4-dioxane is sourced from PubChem (CID 5059104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).