1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone
TL;DR: 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone (CAS 30314-46-6) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one
Also Known As: tert-BUTYROPHENONE, 3',4'-DIMETHOXY-, 3',4'-Dimethoxy-tert-butyrophenone, 1-(3,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one, 1-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-propanone, alpha,alpha-Dimethyl-3',4'-dimethoxypropiophenone
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | CC(C)(C)C(=O)C1=CC(=C(C=C1)OC)OC |
| InChIKey | MAKGAZCLZFWBKC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone
Property Insights of 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone
The XLogP value of 3.2 indicates that 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone 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-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone?
The CAS number of 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone is 30314-46-6.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone is C13H18O3.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone is 222.1256 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-2,2-dimethyl-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.