2-[2-(2,5-dihydroxyphenyl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[2-(2,5-dihydroxyphenyl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-[2-(2,5-dihydroxyphenyl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5018-0017 |
| Compound Name: | 2-[2-(2,5-dihydroxyphenyl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 479.31 |
| Molecular Formula: | C21 H22 N O4 |
| Salt: | I- |
| Smiles: | CC1(C)C(/C=C/c2cc(ccc2O)O)=[N+](C)c2ccc(cc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5132 |
| logD: | 4.5096 |
| logSw: | -4.0521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.221 |
| InChI Key: | ZDMIAPQTZUDNOI-UHFFFAOYSA-O |