TL;DR: 5-(4-Methoxyphenyl)penta-2,4-dienoic acid (CAS 15542-37-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-methoxyphenyl)penta-2,4-dienoic acid
Also Known As: 5-(4-methoxyphenyl)penta-2,4-dienoic acid, (2E,4E)-5-(4'-methoxyphenyl)pentadienoic acid, 2,4-Pentadienoic acid, 5-(4-methoxyphenyl)-, (E,E)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
| SMILES | COC1=CC=C(C=C1)C=CC=CC(=O)O |
| InChIKey | UODHHVJEXWSPFU-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxyphenyl)penta-2,4-dienoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 5-(4-Methoxyphenyl)penta-2,4-dienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methoxyphenyl)penta-2,4-dienoic 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 5-(4-Methoxyphenyl)penta-2,4-dienoic acid is 15542-37-7.
The molecular formula of 5-(4-Methoxyphenyl)penta-2,4-dienoic acid is C12H12O3.
The molecular weight of 5-(4-Methoxyphenyl)penta-2,4-dienoic acid is 204.07864 g/mol.
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