6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane

C23H26O3 — CID 90929379

IUPAC6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane
SMILESC(=CC1COC(c2ccccc2)OO1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H26O3/c1-3-7-19(8-4-1)20-14-11-18(12-15-20)13-16-22-17-24-23(26-25-22)21-9-5-2-6-10-21/h2,5-6,9-16,19,22-23H,1,3-4,7-8,17H2
InChIKeyPFGQIIZVJUQIPB-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.79
Rot. Bonds4

About 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane

6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane (PubChem CID 90929379) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane.

Molecular Properties

Compound Name6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane
PubChem CID90929379
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane
SMILESC(=CC1COC(c2ccccc2)OO1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H26O3/c1-3-7-19(8-4-1)20-14-11-18(12-15-20)13-16-22-17-24-23(26-25-22)21-9-5-2-6-10-21/h2,5-6,9-16,19,22-23H,1,3-4,7-8,17H2
InChIKeyPFGQIIZVJUQIPB-UHFFFAOYSA-N
XLogP5.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane?
The IUPAC name of 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane (CID 90929379) is 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane.
What is the SMILES notation for 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane?
The canonical SMILES for 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane is C(=CC1COC(c2ccccc2)OO1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane?
The InChIKey is PFGQIIZVJUQIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-3-7-19(8-4-1)20-14-11-18(12-15-20)13-16-22-17-24-23(26-25-22)21-9-5-2-6-10-21/h2,5-6,9-16,19,22-23H,1,3-4,7-8,17H2.
What are the key properties of 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane?
6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane has a molecular weight of 350.46 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-cyclohexylphenyl)ethenyl]-3-phenyl-1,2,4-trioxane is sourced from PubChem (CID 90929379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).