TL;DR: 1-(2-Chloro-4-hydroxy-3-methoxyphenyl)ethanone (CAS 151340-06-6) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloro-4-hydroxy-3-methoxyphenyl)ethanone
Also Known As: 1-(2-chloro-4-hydroxy-3-methoxyphenyl)ethanone, Ethanone, 1-(2-chloro-4-hydroxy-3-methoxyphenyl)-, 1-(2-chloro-4-hydroxy-3-methoxy-phenyl)ethanone, 1-(2-Chloro-4-hydroxy-3-methoxyphenyl)ethan-1-one
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.02402 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.02402 Da |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)O)OC)Cl |
| InChIKey | SIDFBARFEDLRPV-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-4-hydroxy-3-methoxyphenyl)ethanone. With a topological polar surface area (TPSA) of 46.5 Ų, 1-(2-Chloro-4-hydroxy-3-methoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-4-hydroxy-3-methoxyphenyl)ethanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-Chloro-4-hydroxy-3-methoxyphenyl)ethanone is 151340-06-6.
The molecular formula of 1-(2-Chloro-4-hydroxy-3-methoxyphenyl)ethanone is C9H9ClO3.
The molecular weight of 1-(2-Chloro-4-hydroxy-3-methoxyphenyl)ethanone is 200.02402 g/mol.
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