TL;DR: 1-(4-Tert-butylphenyl)-3-phenyl-2-propen-1-one (CAS 102692-33-1) is a chemical compound with molecular formula C19H20O and molecular weight 264.15143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
Also Known As: 4/'-Tert-Butylchalcone, 4 -tert-Butylchalcone, (E)-4 -tert-Butylchalcone, 1-(4-tert-butylphenyl)-3-phenyl-2-propen-1-one, beta-Phenyl-4 -tert-butylacrylophenone
| Molecular Formula | C19H20O |
| Molecular Weight | 264.15143 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.15143 Da |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | GTDUCEPPMPBWKM-NTEUORMPSA-N |
The XLogP value of 4.8 indicates that 1-(4-Tert-butylphenyl)-3-phenyl-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Tert-butylphenyl)-3-phenyl-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butylphenyl)-3-phenyl-2-propen-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Tert-butylphenyl)-3-phenyl-2-propen-1-one is 102692-33-1.
The molecular formula of 1-(4-Tert-butylphenyl)-3-phenyl-2-propen-1-one is C19H20O.
The molecular weight of 1-(4-Tert-butylphenyl)-3-phenyl-2-propen-1-one is 264.15143 g/mol.
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