TL;DR: 3-[(4-Methylphenyl)methylidene]-5-phenyl-furan-2-one (CAS 147937-89-1) is a chemical compound with molecular formula C18H14O2 and molecular weight 262.09937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-[(4-methylphenyl)methylidene]-5-phenylfuran-2-one
Also Known As: J1.899.729K, 3-[(4-methylphenyl)methylidene]-5-phenyl-furan-2-one, (3E)-3-(4-Methylbenzylidene)-5-phenylfuran-2(3H)-one, 3-[(E)-4-Methylbenzylidene]-5-phenylfuran-2(3H)-one, (3E)-3-[(4-methylphenyl)methylidene]-5-phenylfuran-2-one
| Molecular Formula | C18H14O2 |
| Molecular Weight | 262.09937 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.09937 Da |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
| SMILES | CC1=CC=C(C=C1)/C=C/2\C=C(OC2=O)C3=CC=CC=C3 |
| InChIKey | INPHSKFPFRVDJE-LFIBNONCSA-N |
The XLogP value of 4.3 indicates that 3-[(4-Methylphenyl)methylidene]-5-phenyl-furan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-[(4-Methylphenyl)methylidene]-5-phenyl-furan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methylphenyl)methylidene]-5-phenyl-furan-2-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 3-[(4-Methylphenyl)methylidene]-5-phenyl-furan-2-one is 147937-89-1.
The molecular formula of 3-[(4-Methylphenyl)methylidene]-5-phenyl-furan-2-one is C18H14O2.
The molecular weight of 3-[(4-Methylphenyl)methylidene]-5-phenyl-furan-2-one is 262.09937 g/mol.
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