TL;DR: 2-Cyclohexen-1-one, 3-bromo-2-hydroxy- (CAS 10324-65-9) is a chemical compound with molecular formula C6H7BrO2 and molecular weight 189.96294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-2-hydroxycyclohex-2-en-1-one
Also Known As: 3-bromo-2-hydroxycyclohex-2-en-1-one, 3-Bromo-2-hydroxy-2-cyclohexen-1-one, 3-bromo-2-hydroxy-cyclohex-2-en-1-one, 3-bromo-2-hydroxycyclohex-2-enone, 2-Cyclohexen-1-one, 3-bromo-2-hydroxy-
| Molecular Formula | C6H7BrO2 |
| Molecular Weight | 189.96294 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.96294 Da |
| Heavy Atoms | 9 |
| Complexity | 172.0 |
| SMILES | C1CC(=C(C(=O)C1)O)Br |
| InChIKey | MRXKMDGGQDIKQZ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-bromo-2-hydroxy-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Cyclohexen-1-one, 3-bromo-2-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-bromo-2-hydroxy- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Cyclohexen-1-one, 3-bromo-2-hydroxy- is 10324-65-9.
The molecular formula of 2-Cyclohexen-1-one, 3-bromo-2-hydroxy- is C6H7BrO2.
The molecular weight of 2-Cyclohexen-1-one, 3-bromo-2-hydroxy- is 189.96294 g/mol.
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