1-(adamantan-1-yl)-3-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(adamantan-1-yl)-3-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
1-(adamantan-1-yl)-3-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y501-0953 |
| Compound Name: | 1-(adamantan-1-yl)-3-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 361.28 |
| Molecular Formula: | C19 H21 Br O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(/C=C/c1cc(ccc1O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9695 |
| logD: | 5.8501 |
| logSw: | -5.6255 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.7952 |
| InChI Key: | PCLIEPCAZOHHRN-UHFFFAOYSA-N |