TL;DR: 4-Methoxyphenyl (3-methylphenoxy)acetate (CAS 118734-21-7) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methoxyphenyl) 2-(3-methylphenoxy)acetate
Also Known As: 4-methoxyphenyl (3-methylphenoxy)acetate, 4-methoxyphenyl 2-(m-tolyloxy)acetate, (4-methoxyphenyl) 2-(3-methylphenoxy)acetate, 4-methoxyphenyl 2-(3-methylphenoxy)acetate, AN-652/41280912
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.10486 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.10486 Da |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
| SMILES | CC1=CC(=CC=C1)OCC(=O)OC2=CC=C(C=C2)OC |
| InChIKey | WCNVAWRNPFPWRV-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 4-Methoxyphenyl (3-methylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 4-Methoxyphenyl (3-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenyl (3-methylphenoxy)acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Methoxyphenyl (3-methylphenoxy)acetate is 118734-21-7.
The molecular formula of 4-Methoxyphenyl (3-methylphenoxy)acetate is C16H16O4.
The molecular weight of 4-Methoxyphenyl (3-methylphenoxy)acetate is 272.10486 g/mol.
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