TL;DR: 2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethanol (CAS 100345-06-0) is a chemical compound with molecular formula C18H29ClO3 and molecular weight 328.1805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-chloro-4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethanol
Also Known As: 2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethanol, 2-[2-[2-chloro-4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethanol, 2-{2-[2-Chloro-4-(2-methylheptan-2-yl)phenoxy]ethoxy}ethan-1-ol
| Molecular Formula | C18H29ClO3 |
| Molecular Weight | 328.1805 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 328.1805 Da |
| Heavy Atoms | 22 |
| Complexity | 284.0 |
| SMILES | CCCCCC(C)(C)C1=CC(=C(C=C1)OCCOCCO)Cl |
| InChIKey | DKFMWGZIRFUOTK-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethanol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethanol is 100345-06-0.
The molecular formula of 2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethanol is C18H29ClO3.
The molecular weight of 2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethanol is 328.1805 g/mol.
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