Basic information
- Standard SMILES
Oc1cccc(Cc2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1- InChIKey
PCLYHHWFEJHLAC-UHFFFAOYSA-N- Molecular formula
- C24H18F3NO
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 3-{[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Methyl}Phenol
- IUPAC
- 3-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol
Names & synonyms
3-{[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Methyl}PhenolSCHEMBL1125167
Database identifiers
- PubChem CID
- 66913879
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 519
Related reactions
3 records
Compound notes
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