TL;DR: 2-(2-(4-(2-Methylheptan-2-yl)phenoxy)ethoxy)acetic acid (CAS 100330-75-4) is a chemical compound with molecular formula C18H28O4 and molecular weight 308.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]acetic acid
Also Known As: 2-(2-(4-(2-Methylheptan-2-yl)phenoxy)ethoxy)acetic acid, 2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]acetic Acid, {2-[4-(2-METHYLHEPTAN-2-YL)PHENOXY]ETHOXY}ACETIC ACID
| Molecular Formula | C18H28O4 |
| Molecular Weight | 308.19876 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 308.19876 Da |
| Heavy Atoms | 22 |
| Complexity | 306.0 |
| SMILES | CCCCCC(C)(C)C1=CC=C(C=C1)OCCOCC(=O)O |
| InChIKey | IIWYQFZAPLUNNJ-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 2-(2-(4-(2-Methylheptan-2-yl)phenoxy)ethoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(2-(4-(2-Methylheptan-2-yl)phenoxy)ethoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(4-(2-Methylheptan-2-yl)phenoxy)ethoxy)acetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2-(4-(2-Methylheptan-2-yl)phenoxy)ethoxy)acetic acid is 100330-75-4.
The molecular formula of 2-(2-(4-(2-Methylheptan-2-yl)phenoxy)ethoxy)acetic acid is C18H28O4.
The molecular weight of 2-(2-(4-(2-Methylheptan-2-yl)phenoxy)ethoxy)acetic acid is 308.19876 g/mol.
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