Basic information
- Standard SMILES
CC(CCl)C(O)c1ccc(Cc2cccnc2)cc1- InChIKey
ZFLRGVUDERQHBZ-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO
- Average molar mass
- 275.77 g/mol
Names & identifiers
- Preferred name
- 3-[p-(3-Chloro-1-hydroxy-2-methylpropyl)benzyl]pyridine
- IUPAC
- 3-chloro-2-methyl-1-[4-(pyridin-3-ylmethyl)phenyl]propan-1-ol
Names & synonyms
SCHEMBL10663840ZFLRGVUDERQHBZ-UHFFFAOYSA-N3-[p-(3-chloro-1-hydroxy-2-methylpropyl)benzyl]pyridine
Database identifiers
- PubChem CID
- 20148615
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 253
Related reactions
6 records
Compound notes
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