Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-
TL;DR: Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)- (CAS 1642-79-1) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,3-dimethyl-1-benzofuran-6-yl)ethanone
Also Known As: 4-(Chloromethyl)benzoic acid, Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-, 1-(2,3-Dimethyl-6-benzofuranyl)ethanone, 6-Acetyl-2,3-dimethylbenzofuran, 1-(2,3-dimethyl-1-benzofuran-6-yl)ethanone
Technical Specifications
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.08372 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 Da |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
| SMILES | CC1=C(OC2=C1C=CC(=C2)C(=O)C)C |
| InChIKey | HTPWVGOODBQAPY-UHFFFAOYSA-N |
Chemical Property Profile of Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-
Property Insights of Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-. With a topological polar surface area (TPSA) of 30.2 Ų, Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)- 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 Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-?
The CAS number of Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)- is 1642-79-1.
What is the molecular formula of Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-?
The molecular formula of Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)- is C12H12O2.
What is the molecular weight of Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-?
The molecular weight of Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)- is 188.08372 g/mol.
Where can I buy Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-?
You can request a quote for Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)-?
Yes, CoreyChem provides custom synthesis services for Ethanone, 1-(2,3-dimethyl-6-benzofuranyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.