Basic information
- Standard SMILES
C[C@H](Oc1ccc(-c2ccc(Cl)cc2Cl)cc1)[C@H](O)CCc1cccnc1- InChIKey
IICVQAGLMRNSRC-OYHNWAKOSA-N- Molecular formula
- C22H21Cl2NO2
- Average molar mass
- 402.3 g/mol
Names & identifiers
- Preferred name
- (3R,4S)-4-(2',4'-Dichlorobiphenyl-4-yloxy)-1-pyridin-3-yl-pentan-3-ol
- IUPAC
- (3R,4S)-4-[4-(2,4-dichlorophenyl)phenoxy]-1-pyridin-3-ylpentan-3-ol
Names & synonyms
SCHEMBL7980152IICVQAGLMRNSRC-OYHNWAKOSA-N(3R,4S)-4-(2',4'-Dichlorobiphenyl-4-yloxy)-1-pyridin-3-yl-pentan-3-ol
Database identifiers
- PubChem CID
- 57313338
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 431
Related reactions
1 records
Compound notes
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