TL;DR: 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one (CAS 10493-06-8) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Also Known As: NCIOpen2_009920, 2'-HYDROXY-3,4,4'-TRIMETHOXYCHALCONE, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one, CID 98239
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.11542 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.11542 Da |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
| SMILES | COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)OC)O |
| InChIKey | SKTAHPCCLORHHM-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one is 10493-06-8.
The molecular formula of 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one is C18H18O5.
The molecular weight of 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one is 314.11542 g/mol.
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