Basic information
- CAS
5430-52-4- Standard SMILES
OC(Cc1ccncc1)c1ccccc1Cl- InChIKey
JZDVDVVNVHMNSO-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0607417
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-2-pyridin-4-ylethanol
- IUPAC
- 1-(2-chlorophenyl)-2-pyridin-4-ylethanol
Names & synonyms
1-(2-chlorophenyl)-2-pyridin-4-ylethanol1-(2-chlorophenyl)-2-(pyridin-4-yl)ethanol5430-52-4MLS002638341NSC13809CHEMBL1891483DTXSID10279720HMS3086N15NSC-13809AKOS011843002SMR0015478271-(2-Chlorophenyl)-2-(pyridin-4-yl)ethan-1-ol
Database identifiers
- CAS
5430-52-4- PubChem CID
- 224943
- DTXSID
DTXSID10279720- ChEMBL
CHEMBL1891483
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…