2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol
TL;DR: 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol (CAS 106662-98-0) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butyl-2H-1,4-benzodioxin-3-ol
Also Known As: 2-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol, 3-tert-butyl-2H-1,4-benzodioxin-3-ol, 9-tert-butyl-7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-ol
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
| SMILES | CC(C)(C)C1(COC2=CC=CC=C2O1)O |
| InChIKey | VPANZLLRKNSFHJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol
Property Insights of 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol?
The CAS number of 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol is 106662-98-0.
What is the molecular formula of 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol?
The molecular formula of 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol is C12H16O3.
What is the molecular weight of 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol?
The molecular weight of 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol is 208.10994 g/mol.
Where can I buy 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol?
You can request a quote for 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butyl-2,3-dihydro-1,4-benzodioxin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.