Basic information
- Standard SMILES
COC(=O)CCCCC[C@H](c1ccc(F)cc1)c1c(O)c(C)c(C)c2c1CCC2- InChIKey
QQNKLLIEMXEXFP-OAQYLSRUSA-N- Molecular formula
- C25H31FO3
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- methyl (R)-7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethylindan-4-yl)heptanoate
- IUPAC
- methyl (7R)-7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoate
Names & synonyms
QQNKLLIEMXEXFP-OAQYLSRUSA-Nmethyl (R)-7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethylindan-4-yl)heptanoatemethyl (R)-7-(5-hydroxy-6,7-dimethylindan-4-yl)-7-(4-fluorophenyl)heptanoate
Database identifiers
- PubChem CID
- 10692267
- Nikkaji
- J724.381B
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 516
Related reactions
4 records
Compound notes
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