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

C18H20O5 — CID 45269906

IUPAC3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane
SMILESCCCc1ccc(C2OOC(c3ccc(OC)cc3)OO2)cc1
InChIInChI=1S/C18H20O5/c1-3-4-13-5-7-14(8-6-13)17-20-22-18(23-21-17)15-9-11-16(19-2)12-10-15/h5-12,17-18H,3-4H2,1-2H3
InChIKeyBAXBMYBXZWWCSO-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.26
Rot. Bonds5

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

3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane (PubChem CID 45269906) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane
PubChem CID45269906
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane
SMILESCCCc1ccc(C2OOC(c3ccc(OC)cc3)OO2)cc1
InChIInChI=1S/C18H20O5/c1-3-4-13-5-7-14(8-6-13)17-20-22-18(23-21-17)15-9-11-16(19-2)12-10-15/h5-12,17-18H,3-4H2,1-2H3
InChIKeyBAXBMYBXZWWCSO-UHFFFAOYSA-N
XLogP4.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane (CID 45269906) is 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane is CCCc1ccc(C2OOC(c3ccc(OC)cc3)OO2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is BAXBMYBXZWWCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-3-4-13-5-7-14(8-6-13)17-20-22-18(23-21-17)15-9-11-16(19-2)12-10-15/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane?
3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane has a molecular weight of 316.35 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 45269906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).