(+/-)-2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-(1-hydroxy-pentyl)pyridine
Basic information
- Standard SMILES
CCCCC(O)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1- InChIKey
LXWIXKRSVBYCQT-UHFFFAOYSA-N- Molecular formula
- C23H32FNO2
- Average molar mass
- 373.5 g/mol
Names & identifiers
- Preferred name
- (+/-)-2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-(1-hydroxy-pentyl)pyridine
- IUPAC
- 1-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]pentan-1-ol
Names & synonyms
SCHEMBL2648616SCHEMBL2662969LXWIXKRSVBYCQT-UHFFFAOYSA-N(+/-)-2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-(1-hydroxy-pentyl)pyridine
Database identifiers
- PubChem CID
- 22004992
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 423
Related reactions
3 records
Compound notes
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