Basic information
- CAS
51037-48-0- Standard SMILES
O=C(c1ccc(F)cc1)C(O)CCN1CCC(O)(c2ccc(Cl)cc2)CC1- InChIKey
RODWINBWUKUGNT-UHFFFAOYSA-N- Molecular formula
- C21H23ClFNO3
- Average molar mass
- 391.9 g/mol
- Monoisotopic mass
- 391.1350495
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxy-
- IUPAC
- 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)-2-hydroxybutan-1-one
Names & synonyms
BRN 15103784-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxybutyrophenone51037-48-01-(4-Fluorophenyl)-2-hydroxy-4-(4-hydroxy-4-(4-chlorophenyl)-1-piperidyl)-1-butanoneBUTYROPHENONE, 4-(4-(p-CHLOROPHENYL)-4-HYDROXYPIPERIDINO)-4'-FLUORO-2-HYDROXY-RefChem:3314614-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)-2-hydroxybutan-1-oneDTXSID10965318
Database identifiers
- CAS
51037-48-0- PubChem CID
- 39882
- DTXSID
DTXSID10965318- Nikkaji
- J67.445A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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