TL;DR: 1-(2,2-Dimethylpropyl)-4-(2-(3-propan-2-ylphenoxy)ethoxy)benzene (CAS 128631-89-0) is a chemical compound with molecular formula C22H30O2 and molecular weight 326.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,2-dimethylpropyl)-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
Also Known As: 1-(2,2-Dimethylpropyl)-4-(2-(3-propan-2-ylphenoxy)ethoxy)benzene, 1-(2,2-dimethylpropyl)-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene, 1-{2-[4-(2,2-dimethylpropyl)phenoxy]ethoxy}-3-(propan-2-yl)benzene
| Molecular Formula | C22H30O2 |
| Molecular Weight | 326.22458 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.22458 Da |
| Heavy Atoms | 24 |
| Complexity | 336.0 |
| SMILES | CC(C)C1=CC(=CC=C1)OCCOC2=CC=C(C=C2)CC(C)(C)C |
| InChIKey | JAEBIVQPEZXWKD-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that 1-(2,2-Dimethylpropyl)-4-(2-(3-propan-2-ylphenoxy)ethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(2,2-Dimethylpropyl)-4-(2-(3-propan-2-ylphenoxy)ethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2-Dimethylpropyl)-4-(2-(3-propan-2-ylphenoxy)ethoxy)benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(2,2-Dimethylpropyl)-4-(2-(3-propan-2-ylphenoxy)ethoxy)benzene is 128631-89-0.
The molecular formula of 1-(2,2-Dimethylpropyl)-4-(2-(3-propan-2-ylphenoxy)ethoxy)benzene is C22H30O2.
The molecular weight of 1-(2,2-Dimethylpropyl)-4-(2-(3-propan-2-ylphenoxy)ethoxy)benzene is 326.22458 g/mol.
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