TL;DR: 1-[2-(2-Butoxyethoxy)ethoxy]-3-chloropropan-2-ol (CAS 113850-29-6) is a chemical compound with molecular formula C11H23ClO4 and molecular weight 254.1285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2-butoxyethoxy)ethoxy]-3-chloropropan-2-ol
Also Known As: 1-[2-(2-butoxyethoxy)ethoxy]-3-chloropropan-2-ol, 2-Propanol, 1-[2-(2-butoxyethoxy)ethoxy]-3-chloro-, 1-chloro-3-(2-(2-butoxyethoxy)ethoxy)-2-propanol, 2-Propanol,1-[2-(2-butoxyethoxy)ethoxy]-3-chloro, 1-[2-(2-butoxyethoxy)ethoxy]-3-chloro-propan-2-ol
| Molecular Formula | C11H23ClO4 |
| Molecular Weight | 254.1285 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 254.1285 Da |
| Heavy Atoms | 16 |
| Complexity | 135.0 |
| SMILES | CCCCOCCOCCOCC(CCl)O |
| InChIKey | JWSXSYNEHKFBBT-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(2-Butoxyethoxy)ethoxy]-3-chloropropan-2-ol. With a topological polar surface area (TPSA) of 47.9 Ų, 1-[2-(2-Butoxyethoxy)ethoxy]-3-chloropropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(2-Butoxyethoxy)ethoxy]-3-chloropropan-2-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-(2-Butoxyethoxy)ethoxy]-3-chloropropan-2-ol is 113850-29-6.
The molecular formula of 1-[2-(2-Butoxyethoxy)ethoxy]-3-chloropropan-2-ol is C11H23ClO4.
The molecular weight of 1-[2-(2-Butoxyethoxy)ethoxy]-3-chloropropan-2-ol is 254.1285 g/mol.
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