Basic information
- Standard SMILES
CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccccc3)cc2)cc1Cl- InChIKey
UQKPDUXSKNRHMN-UHFFFAOYSA-N- Molecular formula
- C27H29ClO3
- Average molar mass
- 437 g/mol
Names & identifiers
- Preferred name
- Phenyl 3'-chloro-4'-octyloxybiphenyl-4-carboxylate
- IUPAC
- phenyl 4-(3-chloro-4-octoxyphenyl)benzoate
Names & synonyms
UQKPDUXSKNRHMN-UHFFFAOYSA-Nphenyl 3'-chloro-4'-octyloxybiphenyl-4carboxylatephenyl 3'-chloro-4'-octyloxybiphenyl-4-carboxylate
Database identifiers
- PubChem CID
- 86743016
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 497
Related reactions
2 records
Compound notes
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