TL;DR: (3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-2-one (CAS 102613-44-5) is a chemical compound with molecular formula C16H12O2 and molecular weight 236.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-2-one
Also Known As: Cross linking, 3-(4-methylbenzylidene)-1-benzofuran-2(3h)-one, (3Z)-3-(4-Methylbenzylidene)benzofuran-2(3H)-one, (Z)-3-(4-methylbenzylidene)benzofuran-2(3H)-one, (3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-2-one
| Molecular Formula | C16H12O2 |
| Molecular Weight | 236.08372 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.08372 Da |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
| SMILES | CC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3OC2=O |
| InChIKey | BPWVHYQPWJBKFW-UVTDQMKNSA-N |
The XLogP value of 3.8 indicates that (3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-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, (3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-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 (3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-2-one is 102613-44-5.
The molecular formula of (3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-2-one is C16H12O2.
The molecular weight of (3Z)-3-[(4-methylphenyl)methylidene]-1-benzofuran-2-one is 236.08372 g/mol.
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