Basic information
- Standard SMILES
C[C@@H](O)[C@@H](Cc1ccc(Cl)cn1)c1ccccc1- InChIKey
GOHUMGNZYNZEFF-IAQYHMDHSA-N- Molecular formula
- C15H16ClNO
- Average molar mass
- 261.74 g/mol
Names & identifiers
- Preferred name
- 4-(5-Chloro-2-pyridyl)-3(S)-phenyl-2(R)-butanol
- IUPAC
- (2R,3S)-4-(5-chloro-2-pyridinyl)-3-phenylbutan-2-ol
Names & synonyms
SCHEMBL3374776GOHUMGNZYNZEFF-IAQYHMDHSA-N4-(5-Chloro-2-pyridyl)-3(S)-phenyl-2(R)-butanol
Database identifiers
- PubChem CID
- 23404704
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Related reactions
12 records
Compound notes
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