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

C15H14O4 — CID 45267301

IUPAC3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane
SMILESCc1ccc(C2OOC(c3ccccc3)OO2)cc1
InChIInChI=1S/C15H14O4/c1-11-7-9-13(10-8-11)15-18-16-14(17-19-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3
InChIKeySRQMLYORHLABQH-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.60
Rot. Bonds2

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

3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane (PubChem CID 45267301) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane
PubChem CID45267301
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane
SMILESCc1ccc(C2OOC(c3ccccc3)OO2)cc1
InChIInChI=1S/C15H14O4/c1-11-7-9-13(10-8-11)15-18-16-14(17-19-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3
InChIKeySRQMLYORHLABQH-UHFFFAOYSA-N
XLogP3.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.60
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-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane (CID 45267301) is 3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane is Cc1ccc(C2OOC(c3ccccc3)OO2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane?
The InChIKey is SRQMLYORHLABQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-11-7-9-13(10-8-11)15-18-16-14(17-19-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3.
What are the key properties of 3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane?
3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane has a molecular weight of 258.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-phenyl-1,2,4,5-tetraoxane is sourced from PubChem (CID 45267301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).