alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid
TL;DR: alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid (CAS 107672-15-1) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2-methylprop-1-enyl)phenyl]propanoic acid
Also Known As: 2-[4-(2-Methylpropenyl)phenyl]propionic Acid, 2-(4-Dimethylvinylphenyl)propionic acid, Ibuprofen Impurity 14, Ibuprofen Impurity 27, Ibuprofen Impurity 73
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
| SMILES | CC(C1=CC=C(C=C1)C=C(C)C)C(=O)O |
| InChIKey | WYUJTWQSJJRVIG-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid
Property Insights of alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid
The XLogP value of 3.5 indicates that alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid has 1 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 alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid?
The CAS number of alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid is 107672-15-1.
What is the molecular formula of alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid?
The molecular formula of alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid is C13H16O2.
What is the molecular weight of alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid?
The molecular weight of alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid is 204.11504 g/mol.
Where can I buy alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid?
You can request a quote for alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid?
Yes, CoreyChem provides custom synthesis services for alpha-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.