TL;DR: 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CAS 151135-96-5) 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.
1-(4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: NCIOpen2_009671, 1-(4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, trans-4'-Hydroxy-3,4,5-trimethoxychalcone, 2-Propen-1-one, 1-(4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-, (2E)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.11542 g/mol |
| XLogP | 3.2 |
| 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 | 386.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)O |
| InChIKey | UTPDEDVSUZRNQN-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)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 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)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 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is 151135-96-5.
The molecular formula of 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is C18H18O5.
The molecular weight of 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is 314.11542 g/mol.
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