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| IUPAC Name: | 3-pentadecylphenol |
| Description: | 3-Pentadecylphenol (CAS# 501-24-6) is a dihydropteroate synthetase inhibitor. Also, it is a derivative of the parent compound, Dapsone (D193250), which is an antibacterial used in the treatment of dermatitis herpetiformis. |
| Molecular Weight: | 304.51 |
| Molecular Formula: | C21H36O |
| Canonical SMILES: | CCCCCCCCCCCCCCCC1=CC(=CC=C1)O |
| InChI: | InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3 |
| InChI Key: | PTFIPECGHSYQNR-UHFFFAOYSA-N |
| Boiling Point: | 190-195 °C / 1 mmHg (lit.) |
| Melting Point: | 54.5 °C |
| Purity: | 97 % |
| Density: | 0.908 g/cm3 |
| Solubility: | 0.001028 mg/L at 25 °C (est) |
| Appearance: | Off-white to brown crystals |
| LogP: | 7.02590 |
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