TL;DR: 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol (CAS 126406-27-7) is a chemical compound with molecular formula C31H47NO5 and molecular weight 513.3454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-hydroxy-3-[3-methoxy-6-octoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
Also Known As: 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol, Benzenepropanol, 4-hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)-, 4-(3-Hydroxy-3-{3-methoxy-6-(octyloxy)-2-[2-(piperidin-1-yl)ethoxy]phenyl}propyl)phenol, 4-[3-hydroxy-3-[3-methoxy-6-octoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
| Molecular Formula | C31H47NO5 |
| Molecular Weight | 513.3454 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 513.3454 Da |
| Heavy Atoms | 37 |
| Complexity | 564.0 |
| SMILES | CCCCCCCCOC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(CCC3=CC=C(C=C3)O)O |
| InChIKey | BBVXMSPOVZDDOT-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol. Following Lipinski's Rule of Five, 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol is 126406-27-7.
The molecular formula of 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol is C31H47NO5.
The molecular weight of 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol is 513.3454 g/mol.
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