TL;DR: 3-[(4-Methoxyphenyl)methylidene]oxolan-2-one (CAS 1534-35-6) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-methoxyphenyl)methylidene]oxolan-2-one
Also Known As: 3-[(4-methoxyphenyl)methylidene]oxolan-2-one, 3-(4-methoxybenzylidene)dihydrofuran-2(3H)-one, (3z)-3-(4-methoxybenzylidene)dihydrofuran-2(3h)-one, 2(3H)-Furanone, dihydro-3-[(4-methoxyphenyl)methylene]-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
| SMILES | COC1=CC=C(C=C1)C=C2CCOC2=O |
| InChIKey | MBSKMEQHKIKWQZ-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methoxyphenyl)methylidene]oxolan-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 3-[(4-Methoxyphenyl)methylidene]oxolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methoxyphenyl)methylidene]oxolan-2-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 3-[(4-Methoxyphenyl)methylidene]oxolan-2-one is 1534-35-6.
The molecular formula of 3-[(4-Methoxyphenyl)methylidene]oxolan-2-one is C12H12O3.
The molecular weight of 3-[(4-Methoxyphenyl)methylidene]oxolan-2-one is 204.07864 g/mol.
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