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

C18H20O4 — CID 25256863

IUPAC3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
SMILESCc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1
InChIInChI=1S/C18H20O4/c1-12(2)14-8-10-16(11-9-14)18-21-19-17(20-22-18)15-6-4-13(3)5-7-15/h4-12,17-18H,1-3H3
InChIKeyBQBFESUBYNUBBV-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.73
Rot. Bonds3

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

3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane (PubChem CID 25256863) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
PubChem CID25256863
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
SMILESCc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1
InChIInChI=1S/C18H20O4/c1-12(2)14-8-10-16(11-9-14)18-21-19-17(20-22-18)15-6-4-13(3)5-7-15/h4-12,17-18H,1-3H3
InChIKeyBQBFESUBYNUBBV-UHFFFAOYSA-N
XLogP4.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
CID 105591
4,4-Bis(methoxymethyl)biphenyl
CID 1519430
3,6-Bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane
CID 10691170
3,6-Bis(3-methylphenyl)-1,2,4,5-tetraoxane
CID 25110738
3,6-Bis(4-propylphenyl)-1,2,4,5-tetraoxane
CID 25256858
3,6-Bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
CID 25256859
3-(4-Ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
CID 25256862
3-(4-Tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
CID 25256864
3,6-Bis(4-ethylphenyl)-1,2,4,5-tetraoxane
CID 44517676
3-(4-Ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
CID 45267297
3-(4-Methylphenyl)-6-phenyl-1,2,4,5-tetraoxane
CID 45267301
3-(3-Methylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
CID 45268163

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane (CID 25256863) is 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane is Cc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is BQBFESUBYNUBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-12(2)14-8-10-16(11-9-14)18-21-19-17(20-22-18)15-6-4-13(3)5-7-15/h4-12,17-18H,1-3H3.
What are the key properties of 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane has a molecular weight of 300.35 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 25256863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).