3-{2-[5-Trifluoromethyl-2-(benzyloxy)phenyl]cyclopent-1-enyl}-5-methylbenzoic Acid Ethyl Ester
Basic information
- Standard SMILES
CCOC(=O)c1cc(C)cc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccccc3)CCC2)c1- InChIKey
SQADVKPDVGJCKE-UHFFFAOYSA-N- Molecular formula
- C29H27F3O3
- Average molar mass
- 480.5 g/mol
Names & identifiers
- Preferred name
- 3-{2-[5-Trifluoromethyl-2-(benzyloxy)phenyl]cyclopent-1-enyl}-5-methylbenzoic Acid Ethyl Ester
- IUPAC
- ethyl 3-methyl-5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzoate
Names & synonyms
3-{2-[5-Trifluoromethyl-2-(benzyloxy)phenyl]cyclopent-1-enyl}-5-methylbenzoic Acid Ethyl EsterSCHEMBL5621196
Database identifiers
- PubChem CID
- 69508136
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 740
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Related reactions
2 records
Compound notes
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