2-(acetyloxy)-5-(adamantan-1-yl)benzoic acid
Chemical Structure Depiction of
2-(acetyloxy)-5-(adamantan-1-yl)benzoic acid
2-(acetyloxy)-5-(adamantan-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 0509-0276 |
| Compound Name: | 2-(acetyloxy)-5-(adamantan-1-yl)benzoic acid |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C19 H22 O4 |
| Smiles: | CC(=O)Oc1ccc(cc1C(O)=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 4.7023 |
| logD: | 0.496 |
| logSw: | -4.3949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.246 |
| InChI Key: | PUYBEUDIKYCSAG-UHFFFAOYSA-N |