3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane

C20H24O4 — CID 45270723

IUPAC3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane
SMILESCCCc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1
InChIInChI=1S/C20H24O4/c1-4-5-15-6-8-17(9-7-15)19-21-23-20(24-22-19)18-12-10-16(11-13-18)14(2)3/h6-14,19-20H,4-5H2,1-3H3
InChIKeyWFZRDRXLVBNGAY-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.37
Rot. Bonds5

About 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane

3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane (PubChem CID 45270723) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane
PubChem CID45270723
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane
SMILESCCCc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1
InChIInChI=1S/C20H24O4/c1-4-5-15-6-8-17(9-7-15)19-21-23-20(24-22-19)18-12-10-16(11-13-18)14(2)3/h6-14,19-20H,4-5H2,1-3H3
InChIKeyWFZRDRXLVBNGAY-UHFFFAOYSA-N
XLogP5.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane (CID 45270723) is 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane is CCCc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is WFZRDRXLVBNGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-4-5-15-6-8-17(9-7-15)19-21-23-20(24-22-19)18-12-10-16(11-13-18)14(2)3/h6-14,19-20H,4-5H2,1-3H3.
What are the key properties of 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane?
3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane has a molecular weight of 328.41 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 45270723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).