TL;DR: Oxireno(b)benzofuran, 1a,6b-dihydro-1a,5,6b-trimethyl- (CAS 136795-92-1) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1a,5,6b-trimethyloxireno[2,3-b][1]benzofuran
Also Known As: 1a,5,6b-trimethyloxireno[2,3-b][1]benzofuran, Oxireno(b)benzofuran, 1a,6b-dihydro-1a,5,6b-trimethyl-, 1a,5,6b-Trimethyl-1a,6b-dihydrooxireno[b][1]benzofuran
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 252.0 |
| SMILES | CC1=CC2=C(C=C1)OC3(C2(O3)C)C |
| InChIKey | CDAIJKPJPPNOSK-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxireno(b)benzofuran, 1a,6b-dihydro-1a,5,6b-trimethyl-. With a topological polar surface area (TPSA) of 21.8 Ų, Oxireno(b)benzofuran, 1a,6b-dihydro-1a,5,6b-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxireno(b)benzofuran, 1a,6b-dihydro-1a,5,6b-trimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oxireno(b)benzofuran, 1a,6b-dihydro-1a,5,6b-trimethyl- is 136795-92-1.
The molecular formula of Oxireno(b)benzofuran, 1a,6b-dihydro-1a,5,6b-trimethyl- is C11H12O2.
The molecular weight of Oxireno(b)benzofuran, 1a,6b-dihydro-1a,5,6b-trimethyl- is 176.08372 g/mol.
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