TL;DR: (2E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (CAS 1211107-41-3) is a chemical compound with molecular formula C14H11ClO2 and molecular weight 246.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
Also Known As: 4'-Chloro-beta-(5-methyl-2-furyl)acrylophenone, (2E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one, J2.710.187I, 4/'-Chloro-beta-(5-methyl-2-furyl)acrylophenone, (E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
| Molecular Formula | C14H11ClO2 |
| Molecular Weight | 246.04475 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.04475 Da |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| SMILES | CC1=CC=C(O1)/C=C/C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | ZRRSPUXOCWAQRT-CMDGGOBGSA-N |
The XLogP value of 3.8 indicates that (2E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)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 30.2 Ų, (2E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is 1211107-41-3.
The molecular formula of (2E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is C14H11ClO2.
The molecular weight of (2E)-1-(4-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is 246.04475 g/mol.
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