Basic information
- Standard SMILES
CC1=C(C(O)c2ccc3ccncc3c2)C(C)(C)CCC1- InChIKey
LSMICATZVJKVTA-UHFFFAOYSA-N- Molecular formula
- C19H23NO
- Average molar mass
- 281.4 g/mol
Names & identifiers
- Preferred name
- Isoquinolin-7-yl(2,6,6-trimethylcyclohex-1-enyl)methanol
- IUPAC
- isoquinolin-7-yl-(2,6,6-trimethylcyclohexen-1-yl)methanol
Names & synonyms
SCHEMBL14995896LSMICATZVJKVTA-UHFFFAOYSA-Nisoquinolin-7-yl(2,6,6-trimethylcyclohex-1-enyl)methanol
Database identifiers
- PubChem CID
- 89602863
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
1 records
Compound notes
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