TL;DR: 3-(4-propylphenyl)propanoic Acid (CAS 162752-13-8) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-propylphenyl)propanoic acid
Also Known As: 3-(4-propylphenyl)propanoic Acid, 4-Propylbenzenepropanoic acid, 3-(4-n-Propylphenyl)propanoic acid
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| SMILES | CCCC1=CC=C(C=C1)CCC(=O)O |
| InChIKey | WRBXYOSHIVEUNT-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 3-(4-propylphenyl)propanoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-propylphenyl)propanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-propylphenyl)propanoic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-propylphenyl)propanoic Acid is 162752-13-8.
The molecular formula of 3-(4-propylphenyl)propanoic Acid is C12H16O2.
The molecular weight of 3-(4-propylphenyl)propanoic Acid is 192.11504 g/mol.
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