Basic information
- Standard SMILES
COC(=O)CC(O)CC(=O)CCc1c(C)cc(C)cc1-c1ccc(F)c(C)c1- InChIKey
XNEWMLAFXBBJJN-UHFFFAOYSA-N- Molecular formula
- C23H27FO4
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- Methyl 7-(4'-fluoro-3,3',5-trimethyl-[1,1'-biphenyl]-2-yl)-3-hydroxy-5-oxoheptanoate
- IUPAC
- methyl 7-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-3-hydroxy-5-oxoheptanoate
Names & synonyms
SCHEMBL9873953XNEWMLAFXBBJJN-UHFFFAOYSA-NMethyl 7-(4'-fluoro-3,3',5-trimethyl-[1,1'-biphenyl]-2-yl)-3-hydroxy-5-oxoheptanoate
Database identifiers
- PubChem CID
- 67947384
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Related reactions
1 records
Compound notes
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