Acetic acid, 5-isobutoxy-m-tolyl-
TL;DR: Acetic acid, 5-isobutoxy-m-tolyl- (CAS 51028-86-5) 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.
2-[3-methyl-5-(2-methylpropoxy)phenyl]acetic acid
Also Known As: 5-Isobutoxy-m-tolylacetic acid, ACETIC ACID, 5-ISOBUTOXY-m-TOLYL-, 5-Isobutoxy-3-methylbenzeneacetic acid, 2-[3-methyl-5-(2-methylpropoxy)phenyl]acetic acid, [3-Methyl-5-(2-methylpropoxy)phenyl]acetic acid
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
| SMILES | CC1=CC(=CC(=C1)OCC(C)C)CC(=O)O |
| InChIKey | HMFYDQKPYBXSOE-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, 5-isobutoxy-m-tolyl-
Property Insights of Acetic acid, 5-isobutoxy-m-tolyl-
The XLogP value of 3.1 indicates that Acetic acid, 5-isobutoxy-m-tolyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Acetic acid, 5-isobutoxy-m-tolyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 5-isobutoxy-m-tolyl- 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 Acetic acid, 5-isobutoxy-m-tolyl-?
The CAS number of Acetic acid, 5-isobutoxy-m-tolyl- is 51028-86-5.
What is the molecular formula of Acetic acid, 5-isobutoxy-m-tolyl-?
The molecular formula of Acetic acid, 5-isobutoxy-m-tolyl- is C13H18O3.
What is the molecular weight of Acetic acid, 5-isobutoxy-m-tolyl-?
The molecular weight of Acetic acid, 5-isobutoxy-m-tolyl- is 222.1256 g/mol.
Where can I buy Acetic acid, 5-isobutoxy-m-tolyl-?
You can request a quote for Acetic acid, 5-isobutoxy-m-tolyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, 5-isobutoxy-m-tolyl-?
Yes, CoreyChem provides custom synthesis services for Acetic acid, 5-isobutoxy-m-tolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.