TL;DR: Benzene, 1-(2-ethylbutyl)-4-(3-(4-methylphenoxy)propoxy)- (CAS 125796-99-8) 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-ethylbutyl)-4-[3-(4-methylphenoxy)propoxy]benzene
Also Known As: Benzene, 1-(2-ethylbutyl)-4-(3-(4-methylphenoxy)propoxy)-, 1-(2-ethylbutyl)-4-[3-(4-methylphenoxy)propoxy]benzene
| Molecular Formula | C22H30O2 |
| Molecular Weight | 326.22458 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 326.22458 Da |
| Heavy Atoms | 24 |
| Complexity | 297.0 |
| SMILES | CCC(CC)CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C |
| InChIKey | WOMANTIYBTZVTN-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that Benzene, 1-(2-ethylbutyl)-4-(3-(4-methylphenoxy)propoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzene, 1-(2-ethylbutyl)-4-(3-(4-methylphenoxy)propoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(2-ethylbutyl)-4-(3-(4-methylphenoxy)propoxy)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzene, 1-(2-ethylbutyl)-4-(3-(4-methylphenoxy)propoxy)- is 125796-99-8.
The molecular formula of Benzene, 1-(2-ethylbutyl)-4-(3-(4-methylphenoxy)propoxy)- is C22H30O2.
The molecular weight of Benzene, 1-(2-ethylbutyl)-4-(3-(4-methylphenoxy)propoxy)- is 326.22458 g/mol.
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