TL;DR: 2-[4-(1,2-Dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid (CAS 131619-11-9) is a chemical compound with molecular formula C16H22O5 and molecular weight 294.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(1,2-dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid
Also Known As: 2-[4-(1,2-dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid, Benzeneacetic acid, 4-((2,?-dihydroxycyclohexyl)oxy)-alpha,alpha-dimethyl-, 2-[4-(1,2-dihydroxycyclohexyl)oxyphenyl]-2-methyl-propanoic Acid, 2-{4-[(1,2-DIHYDROXYCYCLOHEXYL)OXY]PHENYL}-2-METHYLPROPANOIC ACID
| Molecular Formula | C16H22O5 |
| Molecular Weight | 294.14673 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.14673 Da |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
| SMILES | CC(C)(C1=CC=C(C=C1)OC2(CCCCC2O)O)C(=O)O |
| InChIKey | VSHHDBOLMMYNEC-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,2-Dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,2-Dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid. Following Lipinski's Rule of Five, 2-[4-(1,2-Dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[4-(1,2-Dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid is 131619-11-9.
The molecular formula of 2-[4-(1,2-Dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid is C16H22O5.
The molecular weight of 2-[4-(1,2-Dihydroxycyclohexyl)oxyphenyl]-2-methylpropanoic acid is 294.14673 g/mol.
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