Basic information
- Standard SMILES
N#Cc1ccc(-c2cncc3c2CCCC3O)cc1- InChIKey
CRBUYSNYWXOHBE-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
Names & identifiers
- Preferred name
- (rac)-4-(8-Hydroxy-5,6,7,8-tetrahydroisoquinolin-4-yl)benzonitrile
- IUPAC
- 4-(8-hydroxy-5,6,7,8-tetrahydroisoquinolin-4-yl)benzonitrile
Names & synonyms
CHEMBL3915255SCHEMBL15311885CRBUYSNYWXOHBE-UHFFFAOYSA-NBDBM191885US9187429, 11(rac)-4-(8-Hydroxy-5,6,7,8-tetrahydroisoquinolin-4-yl)benzonitrile
Database identifiers
- PubChem CID
- 71811404
- ChEMBL
CHEMBL3915255
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Related reactions
3 records
Compound notes
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