Basic information
- Standard SMILES
CCOc1ccc(F)c(-c2ccc(C(=O)OC)cc2C2CCCC2(C)C)c1- InChIKey
VHBIPIOBKJZZIT-UHFFFAOYSA-N- Molecular formula
- C23H27FO3
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.19442288
Names & identifiers
- Preferred name
- Methyl 2-(2,2-dimethylcyclopentyl)-5'-(ethyloxy)-2'-fluoro-1,1'-biphenyl-4-carboxylate
- IUPAC
- methyl 3-(2,2-dimethylcyclopentyl)-4-(5-ethoxy-2-fluorophenyl)benzoate
Names & synonyms
SCHEMBL2314190VHBIPIOBKJZZIT-UHFFFAOYSA-NMethyl 2-(2,2-dimethylcyclopentyl)-5'-(ethyloxy)-2'-fluoro-1,1'-biphenyl-4-carboxylate
Database identifiers
- PubChem CID
- 57705774
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
2 records
Compound notes
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