2,2-Dimethyl-1-(4-methylphenyl)-1-propanone
TL;DR: 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone (CAS 13756-42-8) is a chemical compound with molecular formula C12H16O and molecular weight 176.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-1-(4-methylphenyl)propan-1-one
Also Known As: 4',2,2-TRIMETHYLPROPIOPHENONE, 4'-Methylpivalophenone, p-methylpivalophenone, 4-Pivaloyltoluene, tert-Butyl ketone
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O |
| Molecular Weight | 176.12012 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.12012 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)(C)C |
| InChIKey | ZYWGAHRBGCEFAO-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone
Property Insights of 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone
The XLogP value of 3.5 indicates that 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone has 0 hydrogen bond donor(s) and 1 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-1-(4-methylphenyl)-1-propanone?
The CAS number of 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone is 13756-42-8.
What is the molecular formula of 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone?
The molecular formula of 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone is C12H16O.
What is the molecular weight of 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone?
The molecular weight of 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone is 176.12012 g/mol.
Where can I buy 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone?
You can request a quote for 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-1-(4-methylphenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.