TL;DR: (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one (CAS 1403817-21-9) is a chemical compound with molecular formula C16H12Cl2O2 and molecular weight 306.02142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
Also Known As: AB01315419-02, AB01315419-03, (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one, (E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one, (2E)-3-(2,4-Dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)-2-propen-1-one
| Molecular Formula | C16H12Cl2O2 |
| Molecular Weight | 306.02142 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.02142 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl |
| InChIKey | XOSFLRCLLUVXNS-QPJJXVBHSA-N |
The XLogP value of 5.5 indicates that (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)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 37.3 Ų, (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one is 1403817-21-9.
The molecular formula of (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one is C16H12Cl2O2.
The molecular weight of (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one is 306.02142 g/mol.
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