Basic information
- Standard SMILES
CCCCCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OCc4ccccc4)cc3Cl)cc2)cc1- InChIKey
VKRVAYWAMMHLDI-UHFFFAOYSA-N- Molecular formula
- C32H29ClO5
- Average molar mass
- 529 g/mol
Names & identifiers
- Preferred name
- 4-Benzyloxy-2-chloro-benzoic acid 4-(4-pentyl-phenoxycarbonyl)-phenyl ester
- IUPAC
- [4-(4-pentylphenoxy)carbonylphenyl] 2-chloro-4-phenylmethoxybenzoate
Names & synonyms
SCHEMBL2861852VKRVAYWAMMHLDI-UHFFFAOYSA-N4-benzyloxy-2-chloro-benzoic acid 4-(4-pentyl-phenoxycarbonyl)-phenyl ester
Database identifiers
- PubChem CID
- 68420660
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 707
Related reactions
4 records
Compound notes
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