TL;DR: 2-(4-(2-Hydroxycyclohexyl)oxyphenyl)-2-methylpropanoic acid (CAS 131619-09-5) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.1518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid
Also Known As: 2-(4-(2-Hydroxycyclohexyl)oxyphenyl)-2-methylpropanoic acid, 2-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-propanoic Acid, 2-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid, 2-{4-[(2-hydroxycyclohexyl)oxy]phenyl}-2-methylpropanoic acid
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.1518 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1518 Da |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
| SMILES | CC(C)(C1=CC=C(C=C1)OC2CCCCC2O)C(=O)O |
| InChIKey | PNFIBUIZMXFFBQ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(2-Hydroxycyclohexyl)oxyphenyl)-2-methylpropanoic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(2-Hydroxycyclohexyl)oxyphenyl)-2-methylpropanoic acid. Following Lipinski's Rule of Five, 2-(4-(2-Hydroxycyclohexyl)oxyphenyl)-2-methylpropanoic acid has 2 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 2-(4-(2-Hydroxycyclohexyl)oxyphenyl)-2-methylpropanoic acid is 131619-09-5.
The molecular formula of 2-(4-(2-Hydroxycyclohexyl)oxyphenyl)-2-methylpropanoic acid is C16H22O4.
The molecular weight of 2-(4-(2-Hydroxycyclohexyl)oxyphenyl)-2-methylpropanoic acid is 278.1518 g/mol.
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