TL;DR: 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone (CAS 17086-21-4) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone
Also Known As: 1-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone, 4-(beta-Hydroxyethoxy)-2-hydroxyacetophenone, Acetophenone, 2'-hydroxy-4'-(2-hydroxyethoxy)-, Ethanone, 1-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-, 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethan-1-one
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.07356 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 Da |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OCCO)O |
| InChIKey | NUHWDRNFGDYOBG-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone. Following Lipinski's Rule of Five, 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone 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 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone is 17086-21-4.
The molecular formula of 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone is C10H12O4.
The molecular weight of 1-[2-Hydroxy-4-(2-hydroxyethoxy)phenyl]ethanone is 196.07356 g/mol.
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