5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one
TL;DR: 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one (CAS 80417-97-6) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-5,6-dihydro-4H-1-benzofuran-2-one
Also Known As: tonka furanone, Dehydromenthofurolactone, EINECS 279-462-2, p-Mentha-2,4(8)-dien-9,3-olide, 5,6-dihydro-3,6-dimethylbenzofuran-2(4h)-one
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.1735 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 296.96045 |
Chemical Identifiers
| CAS Number | 80417-97-6 |
|---|---|
| SMILES | CC1CCC2=C(C(=O)OC2=C1)C |
Product Overview
5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one (CAS 80417-97-6), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 3,6-dimethyl-5,6-dihydro-4H-1-benzofuran-2-one.
Chemical Property Profile of 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one
Property Insights of 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one
The XLogP value of 2.1735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one 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
Frequently Asked Questions
What is the CAS number of 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one?
The CAS number of 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one is 80417-97-6.
What is the molecular formula of 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one?
The molecular formula of 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one is C10H12O2.
What is the molecular weight of 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one?
The molecular weight of 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one is 164.08 g/mol.
Where can I buy 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one?
You can request a quote for 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.