1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone
TL;DR: 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone (CAS 20628-09-5) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone
Also Known As: Encecalin, Encecaline, Encecalin (methyleupatoriochromene), 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone, Isolated from Asteraceae plants
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.10994 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.10994 Da |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
| SMILES | CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
| InChIKey | WXVLCNREBFDEKS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone
Property Insights of 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone has 0 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 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
The CAS number of 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone is 20628-09-5.
What is the molecular formula of 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
The molecular formula of 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone is C14H16O3.
What is the molecular weight of 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
The molecular weight of 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone is 232.10994 g/mol.
Where can I buy 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
You can request a quote for 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.