TL;DR: 2-{4-[(Tert-butyldimethylsilyl)oxy]phenyl}acetic acid (CAS 114774-40-2) is a chemical compound with molecular formula C14H22O3Si and molecular weight 266.13382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid
Also Known As: 2-{4-[(tert-butyldimethylsilyl)oxy]phenyl}acetic acid, 2-(4-((tert-butyldimethylsilyl)oxy)phenyl)acetic acid, 4-(tert-Butyldimethylsiloxy)benzeneacetic acid, 4-Hydroxybenzeneacetic acid, TBDMS derivative, J1.496.225E
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H22O3Si |
| Molecular Weight | 266.13382 g/mol |
| XLogP | 3.6977 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.13382 Da |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
| SMILES | CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)CC(=O)O |
| InChIKey | HFGPEISRKIZIHV-UHFFFAOYSA-N |
The XLogP value of 3.6977 indicates that 2-{4-[(Tert-butyldimethylsilyl)oxy]phenyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-{4-[(Tert-butyldimethylsilyl)oxy]phenyl}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{4-[(Tert-butyldimethylsilyl)oxy]phenyl}acetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{4-[(Tert-butyldimethylsilyl)oxy]phenyl}acetic acid is 114774-40-2.
The molecular formula of 2-{4-[(Tert-butyldimethylsilyl)oxy]phenyl}acetic acid is C14H22O3Si.
The molecular weight of 2-{4-[(Tert-butyldimethylsilyl)oxy]phenyl}acetic acid is 266.13382 g/mol.
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