Basic information
- Standard SMILES
Cc1cc(C)c(C2C(=O)C3C4CC(c5cccc(F)c5)C(O4)C3C2=O)c(C)c1- InChIKey
NGUYSTRMPLBXOS-UHFFFAOYSA-N- Molecular formula
- C24H23FO3
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.16312275
Names & identifiers
- Preferred name
- (1RS,2SR,6RS,7SR,8RS)-8-(3-fluorophenyl)-4-(2,4,6-trimethylphenyl)-10-oxatricyclo-[5.2.1.02,6]decane-3,5-dione
- IUPAC
- 8-(3-fluorophenyl)-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione
Names & synonyms
SCHEMBL2121873NGUYSTRMPLBXOS-UHFFFAOYSA-N(1RS,2SR,6RS,7SR,8RS)-8-(3-fluorophenyl)-4-(2,4,6-trimethylphenyl)-10-oxatricyclo-[5.2.1.02,6]decane-3,5-dione
Database identifiers
- PubChem CID
- 67284052
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 650
Related reactions
1 records
Compound notes
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