TL;DR: 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone (CAS 72666-14-9) is a chemical compound with molecular formula C15H14O6 and molecular weight 290.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)propan-1-one
Also Known As: DIHYDRO-OKANIN, 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone, 2',3',4',3,4-PENTAHYDROXYDIHYDROCHALCONE, 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)propan-1-one, NCI60_002650
| Molecular Formula | C15H14O6 |
| Molecular Weight | 290.07904 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.07904 Da |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
| SMILES | C1=CC(=C(C=C1CCC(=O)C2=C(C(=C(C=C2)O)O)O)O)O |
| InChIKey | CISQVWHIYYYZMR-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone. Following Lipinski's Rule of Five, 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone is 72666-14-9.
The molecular formula of 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone is C15H14O6.
The molecular weight of 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone is 290.07904 g/mol.
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