3-methyl-5,6-dihydro-4H-1-benzofuran-2-one
TL;DR: 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one (CAS 15174-74-0) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-5,6-dihydro-4H-1-benzofuran-2-one
Also Known As: 3-methyl-5,6-dihydro-4H-benzofuran-2-one, 3-methyl-2,4,5,6-tetrahydro-1-benzofuran-2-one
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 271.0 |
| SMILES | CC1=C2CCCC=C2OC1=O |
| InChIKey | ZDDCUEWDWJTEIX-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one
Property Insights of 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-5,6-dihydro-4H-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.
Frequently Asked Questions
What is the CAS number of 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one?
The CAS number of 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one is 15174-74-0.
What is the molecular formula of 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one?
The molecular formula of 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one is C9H10O2.
What is the molecular weight of 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one?
The molecular weight of 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one is 150.06808 g/mol.
Where can I buy 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one?
You can request a quote for 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one?
Yes, CoreyChem provides custom synthesis services for 3-methyl-5,6-dihydro-4H-1-benzofuran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.