Basic information
- Standard SMILES
CCOC(=O)C(CCCCc1ccccc1)(CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OCC- InChIKey
UTMDVHJNEVMLHC-UHFFFAOYSA-N- Molecular formula
- C31H33ClO5
- Average molar mass
- 521 g/mol
- Monoisotopic mass
- 520.2016518
Names & identifiers
- Preferred name
- 1-[4'-(4"-Chlorophenyl)phenyl]-3,3-dicarboethoxy-1-oxo-7-phenylheptane
- IUPAC
- diethyl 2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-2-(4-phenylbutyl)propanedioate
Names & synonyms
SCHEMBL7370659UTMDVHJNEVMLHC-UHFFFAOYSA-N1-[4'-(4"-chlorophenyl)phenyl]-3,3-dicarboethoxy-1-oxo-7-phenylheptane
Database identifiers
- PubChem CID
- 54371431
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 697
Related reactions
10 records
Compound notes
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