2,2-Dimethyl-chroman-4-one
TL;DR: 2,2-Dimethyl-chroman-4-one (CAS 115098-22-1) 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.
2,2-dimethyl-3H-chromen-4-one
Also Known As: 2,2-dimethylchroman-4-one, 2,2-Dimethyl-chroman-4-one, 2,2-dimethyl-4-chromanone, 2,2-dimethyl-3H-chromen-4-one, 2,2-dimethyl-2,3-dihydro-4h-chromen-4-one
Technical Specifications
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
| SMILES | CC1(CC(=O)C2=CC=CC=C2O1)C |
| InChIKey | DUTNTKTZIQAPGA-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-chroman-4-one
Property Insights of 2,2-Dimethyl-chroman-4-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-chroman-4-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-Dimethyl-chroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-chroman-4-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
What is the CAS number of 2,2-Dimethyl-chroman-4-one?
The CAS number of 2,2-Dimethyl-chroman-4-one is 115098-22-1.
What is the molecular formula of 2,2-Dimethyl-chroman-4-one?
The molecular formula of 2,2-Dimethyl-chroman-4-one is C11H12O2.
What is the molecular weight of 2,2-Dimethyl-chroman-4-one?
The molecular weight of 2,2-Dimethyl-chroman-4-one is 176.08372 g/mol.
Where can I buy 2,2-Dimethyl-chroman-4-one?
You can request a quote for 2,2-Dimethyl-chroman-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-chroman-4-one?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-chroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.