2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane

C20H24O4 — CID 85266197

IUPAC2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane
SMILESCOc1ccc(C2OC(C)C(c3ccc(OC)cc3)OC2C)cc1
InChIInChI=1S/C20H24O4/c1-13-19(15-5-9-17(21-3)10-6-15)24-14(2)20(23-13)16-7-11-18(22-4)12-8-16/h5-14,19-20H,1-4H3
InChIKeyTWEGIGPRPZZEHS-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.31
Rot. Bonds4

About 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane

2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane (PubChem CID 85266197) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane
PubChem CID85266197
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane
SMILESCOc1ccc(C2OC(C)C(c3ccc(OC)cc3)OC2C)cc1
InChIInChI=1S/C20H24O4/c1-13-19(15-5-9-17(21-3)10-6-15)24-14(2)20(23-13)16-7-11-18(22-4)12-8-16/h5-14,19-20H,1-4H3
InChIKeyTWEGIGPRPZZEHS-UHFFFAOYSA-N
XLogP4.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane (CID 85266197) is 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane is COc1ccc(C2OC(C)C(c3ccc(OC)cc3)OC2C)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane?
The InChIKey is TWEGIGPRPZZEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-13-19(15-5-9-17(21-3)10-6-15)24-14(2)20(23-13)16-7-11-18(22-4)12-8-16/h5-14,19-20H,1-4H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane?
2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane has a molecular weight of 328.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane is sourced from PubChem (CID 85266197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).