5-Isopropyl-2-methoxybenzoic acid
TL;DR: 5-Isopropyl-2-methoxybenzoic acid (CAS 68014-67-5) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-propan-2-ylbenzoic acid
Also Known As: 5-isopropyl-2-methoxybenzoic acid, 5-Isopropyl-2-methoxybenzoicacid, 2-methoxy-5-propan-2-ylbenzoic acid, 5-isopropyl-2-methoxy-benzoic acid, 2-methoxy-5-propan-2-yl-benzoic Acid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.5168 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 342.38593 |
Chemical Identifiers
| CAS Number | 68014-67-5 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)OC)C(=O)O |
Product Overview
5-Isopropyl-2-methoxybenzoic acid (CAS 68014-67-5), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-methoxy-5-propan-2-ylbenzoic acid.
Chemical Property Profile of 5-Isopropyl-2-methoxybenzoic acid
Property Insights of 5-Isopropyl-2-methoxybenzoic acid
The XLogP value of 2.5168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopropyl-2-methoxybenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 5-Isopropyl-2-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropyl-2-methoxybenzoic 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
Frequently Asked Questions
What is the CAS number of 5-Isopropyl-2-methoxybenzoic acid?
The CAS number of 5-Isopropyl-2-methoxybenzoic acid is 68014-67-5.
What is the molecular formula of 5-Isopropyl-2-methoxybenzoic acid?
The molecular formula of 5-Isopropyl-2-methoxybenzoic acid is C11H14O3.
What is the molecular weight of 5-Isopropyl-2-methoxybenzoic acid?
The molecular weight of 5-Isopropyl-2-methoxybenzoic acid is 194.09 g/mol.
Where can I buy 5-Isopropyl-2-methoxybenzoic acid?
You can request a quote for 5-Isopropyl-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopropyl-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.