3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
TL;DR: 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one (CAS 120707-14-4) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one
Also Known As: Evodone, (+/-)-Evodone, SMUXTLISYBPIAU-UHFFFAOYSA-, 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one, 3,6-dimethoxy-6,7-dihydrobenzofuran-4(5H)-one
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
| SMILES | CC1CC2=C(C(=CO2)C)C(=O)C1 |
| InChIKey | SMUXTLISYBPIAU-UHFFFAOYSA-N |
Chemical Property Profile of 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
Property Insights of 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one. With a topological polar surface area (TPSA) of 30.2 Ų, 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-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 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The CAS number of 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is 120707-14-4.
What is the molecular formula of 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The molecular formula of 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is C10H12O2.
What is the molecular weight of 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The molecular weight of 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is 164.08372 g/mol.
Where can I buy 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
You can request a quote for 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
Yes, CoreyChem provides custom synthesis services for 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.