Basic information
- Standard SMILES
CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(-c2ccc(C(=O)C(C)CCCCCCC)c(F)c2)c1F- InChIKey
ZPHNHYLSMQDZAZ-UHFFFAOYSA-N- Molecular formula
- C37H46F2O4
- Average molar mass
- 592.8 g/mol
Names & identifiers
- Preferred name
- 4-[3-Fluoro-2-[3-fluoro-4-(2-methylnonanoyl)phenyl]-4-octoxyphenyl]benzoic acid
- IUPAC
- 4-[3-fluoro-2-[3-fluoro-4-(2-methylnonanoyl)phenyl]-4-octoxyphenyl]benzoic acid
Names & synonyms
SCHEMBL9440285
Database identifiers
- PubChem CID
- 67852811
Properties
Computed structural properties
- XLogP
- 12.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 797
Related reactions
1 records
Compound notes
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