TL;DR: (2E)-1-(2,5-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one (CAS 1003745-56-9) is a chemical compound with molecular formula C18H16Cl2O and molecular weight 318.05783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(2,5-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
Also Known As: (2E)-1-(2,5-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one, (E)-1-(2,5-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one, (E)-1-(2,5-Dichlorophenyl)-3-(4-isopropylphenyl)prop-2-en-1-one
| Molecular Formula | C18H16Cl2O |
| Molecular Weight | 318.05783 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.05783 Da |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Cl)Cl |
| InChIKey | QRZBTBQLRNCTRX-BJMVGYQFSA-N |
The XLogP value of 6.1 indicates that (2E)-1-(2,5-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-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, (2E)-1-(2,5-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(2,5-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2E)-1-(2,5-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one is 1003745-56-9.
The molecular formula of (2E)-1-(2,5-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one is C18H16Cl2O.
The molecular weight of (2E)-1-(2,5-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one is 318.05783 g/mol.
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