Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(Cl)cc2)OCC(c2ccccc2)(c2ccccc2)CO1- InChIKey
JCZKVJYQFDURPM-UHFFFAOYSA-N- Molecular formula
- C25H23ClO4
- Average molar mass
- 422.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-Chlorophenyl)-5,5-diphenyl[1,3]-dioxane-2-carboxylate
- IUPAC
- ethyl 2-(4-chlorophenyl)-5,5-diphenyl-1,3-dioxane-2-carboxylate
Names & synonyms
SCHEMBL6970913JCZKVJYQFDURPM-UHFFFAOYSA-NEthyl 2-(4-Chlorophenyl)-5,5-diphenyl[1,3]-dioxane-2-carboxylate
Database identifiers
- PubChem CID
- 15428824
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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