TL;DR: 2,2',3-Trihydroxydiphenyl ether (CAS 128292-53-5) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-hydroxyphenoxy)benzene-1,2-diol
Also Known As: 2,2',3-trihydroxydiphenyl ether, 3-(2-hydroxyphenoxy)benzene-1,2-diol, 2,2',3-THD-ether, 3-(2-hydroxyphenoxy)catechol, 2,2',3-Trihydroxydiphenylether
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H10O4 |
| Molecular Weight | 218.0579 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 Da |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
| SMILES | C1=CC=C(C(=C1)O)OC2=CC=CC(=C2O)O |
| InChIKey | XEAZDMSYJLCYDK-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2',3-Trihydroxydiphenyl ether. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2',3-Trihydroxydiphenyl ether. Following Lipinski's Rule of Five, 2,2',3-Trihydroxydiphenyl ether has 3 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 2,2',3-Trihydroxydiphenyl ether is 128292-53-5.
The molecular formula of 2,2',3-Trihydroxydiphenyl ether is C12H10O4.
The molecular weight of 2,2',3-Trihydroxydiphenyl ether is 218.0579 g/mol.
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