4-(Hexyloxy)benzoic acid
TL;DR: 4-(Hexyloxy)benzoic acid (CAS 1142-39-8) 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.
4-hexoxybenzoic acid
Also Known As: 4-(Hexyloxy)benzoic acid, 4-Hexyloxybenzoic acid, 4-n-Hexyloxybenzoic acid, Benzoic acid, 4-(hexyloxy)-, 4-hexoxybenzoic acid
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)O |
| InChIKey | HBQUXMZZODHFMJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Hexyloxy)benzoic acid
Property Insights of 4-(Hexyloxy)benzoic acid
The XLogP value of 3.9 indicates that 4-(Hexyloxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(Hexyloxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hexyloxy)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-(Hexyloxy)benzoic acid?
The CAS number of 4-(Hexyloxy)benzoic acid is 1142-39-8.
What is the molecular formula of 4-(Hexyloxy)benzoic acid?
The molecular formula of 4-(Hexyloxy)benzoic acid is C13H18O3.
What is the molecular weight of 4-(Hexyloxy)benzoic acid?
The molecular weight of 4-(Hexyloxy)benzoic acid is 222.1256 g/mol.
Where can I buy 4-(Hexyloxy)benzoic acid?
You can request a quote for 4-(Hexyloxy)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Hexyloxy)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Hexyloxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.