TL;DR: 3-Methoxy-4-[(4-methylbenzyl)oxy]benzoic acid (CAS 10035-16-2) 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.
3-methoxy-4-[(4-methylphenyl)methoxy]benzoic acid
Also Known As: 3-methoxy-4-[(4-methylbenzyl)oxy]benzoic acid, 3-methoxy-4-[(4-methylphenyl)methoxy]benzoic Acid, 1-Benzofuran-5-carbaldehyde, 3-Methoxy-4-((4-methylbenzyl)oxy)benzoic acid, 3-methoxy-4-(p-tolylmethoxy)benzoic acid
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.10486 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 Da |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)OC |
| InChIKey | GFXWKIJLIFRJHN-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 3-Methoxy-4-[(4-methylbenzyl)oxy]benzoic 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, 3-Methoxy-4-[(4-methylbenzyl)oxy]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-4-[(4-methylbenzyl)oxy]benzoic acid has 1 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 3-Methoxy-4-[(4-methylbenzyl)oxy]benzoic acid is 10035-16-2.
The molecular formula of 3-Methoxy-4-[(4-methylbenzyl)oxy]benzoic acid is C16H16O4.
The molecular weight of 3-Methoxy-4-[(4-methylbenzyl)oxy]benzoic acid is 272.10486 g/mol.
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