2-[2-Chloro-4-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
Basic information
- Standard SMILES
CCC(CC)(c1ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)O)c(Cl)c2)c(C)c1- InChIKey
ZTYPVCLDXPZORP-UHFFFAOYSA-N- Molecular formula
- C32H31ClF6O3
- Average molar mass
- 613 g/mol
Names & identifiers
- Preferred name
- 2-[2-Chloro-4-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
- IUPAC
- 2-[2-chloro-4-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
Names & synonyms
SCHEMBL1525119
Database identifiers
- PubChem CID
- 73201779
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 916
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Related reactions
1 records
Compound notes
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