TL;DR: Methanone, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)- (CAS 129726-78-9) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
Also Known As: KBio1_001448, DivK1c_006504, 2,3,4'-trihydroxy-benzophenone, Methanone, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)-, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)methanone
| Molecular Formula | C13H10O4 |
| Molecular Weight | 230.0579 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0579 Da |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)C2=CC=C(C=C2)O |
| InChIKey | WQCSLQBRPJWOID-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)-. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)-. Following Lipinski's Rule of Five, Methanone, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)- 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 Methanone, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)- is 129726-78-9.
The molecular formula of Methanone, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)- is C13H10O4.
The molecular weight of Methanone, (2,3-dihydroxyphenyl)(4-hydroxyphenyl)- is 230.0579 g/mol.
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