TL;DR: 2,2-Dimethyl-2,3-dihydrobenzofuran-3,7-diol (CAS 17781-15-6) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-3H-1-benzofuran-3,7-diol
Also Known As: 3-Hydroxycarbofuran phenol, Carbofuran-3-hydroxy-7-phenol, 2,2-dimethyl-3H-1-benzofuran-3,7-diol, Carbofuran 7-phenol 3-oh, 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | CC1(C(C2=C(O1)C(=CC=C2)O)O)C |
| InChIKey | CNFFSKAZCVPTPA-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-2,3-dihydrobenzofuran-3,7-diol. With a topological polar surface area (TPSA) of 49.7 Ų, 2,2-Dimethyl-2,3-dihydrobenzofuran-3,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-2,3-dihydrobenzofuran-3,7-diol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2-Dimethyl-2,3-dihydrobenzofuran-3,7-diol is 17781-15-6.
The molecular formula of 2,2-Dimethyl-2,3-dihydrobenzofuran-3,7-diol is C10H12O3.
The molecular weight of 2,2-Dimethyl-2,3-dihydrobenzofuran-3,7-diol is 180.07864 g/mol.
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