Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C2=C(C)CCC2=O)c1- InChIKey
AKBGZQUMEYFTIU-UHFFFAOYSA-N- Molecular formula
- C21H19FO4
- Average molar mass
- 354.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2'-fluoro-2-(2-methyl-5-oxo-1-cyclopenten-1-yl)-5'-(methyloxy)-1,1'-biphenyl-4-carboxylate
- IUPAC
- methyl 4-(2-fluoro-5-methoxyphenyl)-3-(2-methyl-5-oxocyclopenten-1-yl)benzoate
Names & synonyms
SCHEMBL2499453AKBGZQUMEYFTIU-UHFFFAOYSA-NMethyl 2'-fluoro-2-(2-methyl-5-oxo-1-cyclopenten-1-yl)-5'-(methyloxy)-1,1'-biphenyl-4-carboxylate
Database identifiers
- PubChem CID
- 57705608
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
Related reactions
5 records
Compound notes
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