Basic information
- Standard SMILES
O=Cc1ccc2c(c1)CCc1c-2noc1CCC1(c2ccc(F)cc2)CCCCC1- InChIKey
QWEPOEINCJMRRQ-UHFFFAOYSA-N- Molecular formula
- C26H26FNO2
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-(1-(4-Fluorophenyl)cyclohexyl)ethyl)-4,5-dihydronaphtho[1,2-c]isoxazole-7-carbaldehyde
- IUPAC
- 3-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-4,5-dihydrobenzo[g][2,1]benzoxazole-7-carbaldehyde
Names & synonyms
SCHEMBL1805408QWEPOEINCJMRRQ-UHFFFAOYSA-N3-(2-(1-(4-fluorophenyl)cyclohexyl)ethyl)-4,5-dihydronaphtho[1,2-c]isoxazole-7-carbaldehyde
Database identifiers
- PubChem CID
- 86669887
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Compound notes
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