1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one
TL;DR: 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one (CAS 58621-51-5) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
Also Known As: 5-Acetyl-2-methylcoumaran, 2-Methyl-5-acetylcoumaran, 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one, 5-acetyl-2-methyl coumaran, 1-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethanone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | CC1CC2=C(O1)C=CC(=C2)C(=O)C |
| InChIKey | MORJCRDAGOARLY-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one
Property Insights of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-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.
Frequently Asked Questions
What is the CAS number of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one?
The CAS number of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one is 58621-51-5.
What is the molecular formula of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one?
The molecular formula of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one is C11H12O2.
What is the molecular weight of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one?
The molecular weight of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one is 176.08372 g/mol.
Where can I buy 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one?
You can request a quote for 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.