4-Methylphenyl (4-methylphenoxy)acetate
TL;DR: 4-Methylphenyl (4-methylphenoxy)acetate (CAS 127089-36-5) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl) 2-(4-methylphenoxy)acetate
Also Known As: 4-methylphenyl (4-methylphenoxy)acetate, TimTec1_002914, p-Tolyloxy-essigsaeure-p-tolylester, p-tolyloxy-acetic acid p-tolyl ester, (4-methylphenyl) 2-(4-methylphenoxy)acetate
Technical Specifications
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.10995 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.10995 Da |
| Heavy Atoms | 19 |
| Complexity | 274.0 |
| SMILES | CC1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C |
| InChIKey | PWYSZWVFLVKKMV-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylphenyl (4-methylphenoxy)acetate
Property Insights of 4-Methylphenyl (4-methylphenoxy)acetate
The XLogP value of 4.1 indicates that 4-Methylphenyl (4-methylphenoxy)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, 4-Methylphenyl (4-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl (4-methylphenoxy)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 4-Methylphenyl (4-methylphenoxy)acetate?
The CAS number of 4-Methylphenyl (4-methylphenoxy)acetate is 127089-36-5.
What is the molecular formula of 4-Methylphenyl (4-methylphenoxy)acetate?
The molecular formula of 4-Methylphenyl (4-methylphenoxy)acetate is C16H16O3.
What is the molecular weight of 4-Methylphenyl (4-methylphenoxy)acetate?
The molecular weight of 4-Methylphenyl (4-methylphenoxy)acetate is 256.10995 g/mol.
Where can I buy 4-Methylphenyl (4-methylphenoxy)acetate?
You can request a quote for 4-Methylphenyl (4-methylphenoxy)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylphenyl (4-methylphenoxy)acetate?
Yes, CoreyChem provides custom synthesis services for 4-Methylphenyl (4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.