TL;DR: (Z)-6-methoxy-2-(4-methylbenzylidene)benzofuran-3(2H)-one (CAS 108197-50-8) is a chemical compound with molecular formula C17H14O3 and molecular weight 266.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-6-methoxy-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
Also Known As: 6-Methoxy-4'-methylaurone, (Z)-6-methoxy-2-(4-methylbenzylidene)benzofuran-3(2H)-one, (2Z)-6-methoxy-2-[(4-methylphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one, F3139-1916, (2Z)-6-methoxy-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
| Molecular Formula | C17H14O3 |
| Molecular Weight | 266.0943 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0943 Da |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC |
| InChIKey | XRQSEZGWDUKPDJ-SXGWCWSVSA-N |
The XLogP value of 3.9 indicates that (Z)-6-methoxy-2-(4-methylbenzylidene)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (Z)-6-methoxy-2-(4-methylbenzylidene)benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-6-methoxy-2-(4-methylbenzylidene)benzofuran-3(2H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-6-methoxy-2-(4-methylbenzylidene)benzofuran-3(2H)-one is 108197-50-8.
The molecular formula of (Z)-6-methoxy-2-(4-methylbenzylidene)benzofuran-3(2H)-one is C17H14O3.
The molecular weight of (Z)-6-methoxy-2-(4-methylbenzylidene)benzofuran-3(2H)-one is 266.0943 g/mol.
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