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

C16H16O5 — CID 44573093

IUPAC3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
SMILESCOc1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1
InChIInChI=1S/C16H16O5/c1-11-3-5-12(6-4-11)15-18-20-16(21-19-15)13-7-9-14(17-2)10-8-13/h3-10,15-16H,1-2H3
InChIKeyVMDMARITRITESH-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.61
Rot. Bonds3

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

3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane (PubChem CID 44573093) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
PubChem CID44573093
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
SMILESCOc1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1
InChIInChI=1S/C16H16O5/c1-11-3-5-12(6-4-11)15-18-20-16(21-19-15)13-7-9-14(17-2)10-8-13/h3-10,15-16H,1-2H3
InChIKeyVMDMARITRITESH-UHFFFAOYSA-N
XLogP3.61
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane (CID 44573093) is 3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane is COc1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is VMDMARITRITESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-11-3-5-12(6-4-11)15-18-20-16(21-19-15)13-7-9-14(17-2)10-8-13/h3-10,15-16H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
3-(4-methoxyphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane has a molecular weight of 288.30 g/mol, XLogP of 3.61, 3 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-methylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 44573093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).