Basic information
- Standard SMILES
C=CCC(CC=C)(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(=O)O)cc1- InChIKey
ISXJGTQHXDMGSL-UHFFFAOYSA-N- Molecular formula
- C28H25F3O3
- Average molar mass
- 466.5 g/mol
Names & identifiers
- Preferred name
- 4-[1-Allyl-1-(4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoic acid
- IUPAC
- 4-[4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]hepta-1,6-dien-4-yl]benzoic acid
Names & synonyms
4-[1-allyl-1-(4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoic acidSCHEMBL2657154
Database identifiers
- PubChem CID
- 67486186
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 655
Related reactions
1 records
Compound notes
Loading…