Methyl (p-tert-butylphenoxy)acetate
TL;DR: Methyl (p-tert-butylphenoxy)acetate (CAS 88530-52-3) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-tert-butylphenoxy)acetate
Also Known As: Methyl 2-(4-(tert-butyl)phenoxy)acetate, methyl 2-(4-tert-butylphenoxy)acetate, methyl2- acetate, methyl(4-tert-butylphenoxy)acetate, Methyl (p-tert-butylphenoxy)acetate
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(=O)OC |
| InChIKey | OWLZIJMSCPKFJJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl (p-tert-butylphenoxy)acetate
Property Insights of Methyl (p-tert-butylphenoxy)acetate
The XLogP value of 3.1 indicates that Methyl (p-tert-butylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl (p-tert-butylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (p-tert-butylphenoxy)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl (p-tert-butylphenoxy)acetate?
The CAS number of Methyl (p-tert-butylphenoxy)acetate is 88530-52-3.
What is the molecular formula of Methyl (p-tert-butylphenoxy)acetate?
The molecular formula of Methyl (p-tert-butylphenoxy)acetate is C13H18O3.
What is the molecular weight of Methyl (p-tert-butylphenoxy)acetate?
The molecular weight of Methyl (p-tert-butylphenoxy)acetate is 222.1256 g/mol.
Where can I buy Methyl (p-tert-butylphenoxy)acetate?
You can request a quote for Methyl (p-tert-butylphenoxy)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (p-tert-butylphenoxy)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl (p-tert-butylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.