7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran
TL;DR: 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran (CAS 115070-62-7) is a chemical compound with molecular formula C11H13ClO and molecular weight 196.06549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(chloromethyl)-2,2-dimethyl-3H-1-benzofuran
Also Known As: 7-(CHLOROMETHYL)-2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN, 7-(chloromethyl)-2,2-dimethyl-3H-1-benzofuran, 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydrobenzofuran, Benzofuran, 7-(chloromethyl)-2,3-dihydro-2,2-dimethyl-, Benzofuran,7-(chloromethyl)-2,3-dihydro-2,2-dimethyl-
Technical Specifications
| Molecular Formula | C11H13ClO |
| Molecular Weight | 196.06549 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.06549 Da |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
| SMILES | CC1(CC2=C(O1)C(=CC=C2)CCl)C |
| InChIKey | KSDGCBXLXMBJIS-UHFFFAOYSA-N |
Chemical Property Profile of 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran
Property Insights of 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran?
The CAS number of 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran is 115070-62-7.
What is the molecular formula of 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran?
The molecular formula of 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran is C11H13ClO.
What is the molecular weight of 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran?
The molecular weight of 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran is 196.06549 g/mol.
Where can I buy 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran?
You can request a quote for 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran?
Yes, CoreyChem provides custom synthesis services for 7-(Chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.