TL;DR: 2-Bromo-4-methyl-1-[(2-methylprop-2-en-1-yl)oxy]benzene (CAS 110124-11-3) is a chemical compound with molecular formula C11H13BrO and molecular weight 240.01498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-4-methyl-1-(2-methylprop-2-enoxy)benzene
Also Known As: 2-bromo-4-methyl-1-[(2-methylprop-2-en-1-yl)oxy]benzene, 2-bromo-4-methyl-1-(2-methylprop-2-enoxy)benzene, 2-bromo-4-methyl-1-(2-methylallyloxy)benzene, 2-bromo-4-methyl-1-[(2-methyl-2-propenyl)oxy]benzene, G46384
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H13BrO |
| Molecular Weight | 240.01498 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.01498 Da |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| SMILES | CC1=CC(=C(C=C1)OCC(=C)C)Br |
| InChIKey | AOZJFZHICRGAOX-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2-Bromo-4-methyl-1-[(2-methylprop-2-en-1-yl)oxy]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2-Bromo-4-methyl-1-[(2-methylprop-2-en-1-yl)oxy]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-methyl-1-[(2-methylprop-2-en-1-yl)oxy]benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Bromo-4-methyl-1-[(2-methylprop-2-en-1-yl)oxy]benzene is 110124-11-3.
The molecular formula of 2-Bromo-4-methyl-1-[(2-methylprop-2-en-1-yl)oxy]benzene is C11H13BrO.
The molecular weight of 2-Bromo-4-methyl-1-[(2-methylprop-2-en-1-yl)oxy]benzene is 240.01498 g/mol.
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