4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid
TL;DR: 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid (CAS 105401-55-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-2-methyl-5-propan-2-ylbenzoic acid
Also Known As: 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid, 5-isopropyl-4-methoxy-2-methyl-benzoic acid, 5-Isopropyl-4-methoxy-2-methyl-benzoesaeure, 4-methoxy-2-methyl-5-propan-2-ylbenzoic acid, 4-methoxy-2-methyl-5-propan-2-yl-benzoic Acid
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
| SMILES | CC1=CC(=C(C=C1C(=O)O)C(C)C)OC |
| InChIKey | GXIQYXQBQCKIFL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid
Property Insights of 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid has 1 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 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid?
The CAS number of 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid is 105401-55-6.
What is the molecular formula of 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid?
The molecular formula of 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid is C12H16O3.
What is the molecular weight of 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid?
The molecular weight of 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid is 208.10994 g/mol.
Where can I buy 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid?
You can request a quote for 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methoxy-2-methyl-5-(1-methylethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.