TL;DR: 4-Methoxy-2,5-dimethylcinnamic acid (CAS 151539-38-7) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxy-2,5-dimethylphenyl)prop-2-enoic acid
Also Known As: 4-methoxy-2,5-dimethylcinnamic acid, 3-(4-methoxy-2,5-dimethylphenyl)prop-2-enoic acid, 3-(4-methoxy-2,5-dimethyl-phenyl)prop-2-enoic Acid
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CC1=CC(=C(C=C1OC)C)C=CC(=O)O |
| InChIKey | IOIBAKWPAAWBAN-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2,5-dimethylcinnamic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Methoxy-2,5-dimethylcinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2,5-dimethylcinnamic 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 4-Methoxy-2,5-dimethylcinnamic acid is 151539-38-7.
The molecular formula of 4-Methoxy-2,5-dimethylcinnamic acid is C12H14O3.
The molecular weight of 4-Methoxy-2,5-dimethylcinnamic acid is 206.0943 g/mol.
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