4-[2-(2-hydroxyphenyl)ethenyl]-1-(4-iodobutyl)quinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
4-[2-(2-hydroxyphenyl)ethenyl]-1-(4-iodobutyl)quinolin-1-ium--iodide (1/1)
4-[2-(2-hydroxyphenyl)ethenyl]-1-(4-iodobutyl)quinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8010-6430 |
| Compound Name: | 4-[2-(2-hydroxyphenyl)ethenyl]-1-(4-iodobutyl)quinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 557.21 |
| Molecular Formula: | C21 H21 I N O |
| Salt: | I- |
| Smiles: | C(CCI)C[n+]1ccc(/C=C/c2ccccc2O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.3735 |
| logD: | 6.2709 |
| logSw: | -5.9764 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 17.5856 |
| InChI Key: | NJIYASCKLWWTHY-UHFFFAOYSA-O |