TL;DR: 2-Bromo-1-(2,6-dimethoxyphenyl)ethanone (CAS 123184-19-0) is a chemical compound with molecular formula C10H11BrO3 and molecular weight 257.98917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(2,6-dimethoxyphenyl)ethanone
Also Known As: 2-bromo-1-(2,6-dimethoxyphenyl)ethanone, Ethanone,2-bromo-1-(2,6-dimethoxyphenyl)-, 2-bromo-1-(2,6-dimethoxyphenyl)ethan-1-one, 2-bromo-1-(2,6-dimethoxy-phenyl)-ethanone, Ethanone, 2-bromo-1-(2,6-dimethoxyphenyl)-
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 257.98917 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.98917 Da |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
| SMILES | COC1=C(C(=CC=C1)OC)C(=O)CBr |
| InChIKey | NCSDTJAJQKENMG-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(2,6-dimethoxyphenyl)ethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Bromo-1-(2,6-dimethoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(2,6-dimethoxyphenyl)ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Bromo-1-(2,6-dimethoxyphenyl)ethanone is 123184-19-0.
The molecular formula of 2-Bromo-1-(2,6-dimethoxyphenyl)ethanone is C10H11BrO3.
The molecular weight of 2-Bromo-1-(2,6-dimethoxyphenyl)ethanone is 257.98917 g/mol.
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