| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: MEPHENESIN MEPHENESIN
3-(2-Methylphenoxy)-1,2-propanediol
3-(2-Methylphenoxy)-1,2-propanediol, 98%
3-(2-methylphenoxy)propane-1,2-diol
3-(o-Tolyloxy)-1,2-propanediol
3-(Ortho-tolyloxy)-1,2-propanediol
59-47-2; D02595; Mephenesin (INN); Tolserol (TN)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.12 | 0.21 | -8.68 | 2 | 3 | 0 | 50 | 182.219 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.647 | Bitter DB |
| Boiling_Point | 153-154?/4mm | Alfa-Aesar |
| Boiling_Point | 153-154°/4mm | Alfa-Aesar |
| Melting_Point | 69-71? | Alfa-Aesar |
| Melting_Point | 69-71° | Alfa-Aesar |
| Therapy | muscle relaxant (skeletal) | SMDC Pharmakon |
