Ethyl 4-(hexyloxy)benzoate
TL;DR: Ethyl 4-(hexyloxy)benzoate (CAS 154845-72-4) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hexoxybenzoate
Also Known As: ethyl 4-(hexyloxy)benzoate, ethyl 4-hexoxybenzoate, 4-Hexyloxybenzoic acid ethyl ester, ethyl p-hexyloxybenzoate, 4-Hexyloxybenzoic acid, ethyl ester
Technical Specifications
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.15689 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.15689 Da |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | BDLLUXUNYYZWEX-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(hexyloxy)benzoate
Property Insights of Ethyl 4-(hexyloxy)benzoate
The XLogP value of 5.0 indicates that Ethyl 4-(hexyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 4-(hexyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(hexyloxy)benzoate has 0 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 Ethyl 4-(hexyloxy)benzoate?
The CAS number of Ethyl 4-(hexyloxy)benzoate is 154845-72-4.
What is the molecular formula of Ethyl 4-(hexyloxy)benzoate?
The molecular formula of Ethyl 4-(hexyloxy)benzoate is C15H22O3.
What is the molecular weight of Ethyl 4-(hexyloxy)benzoate?
The molecular weight of Ethyl 4-(hexyloxy)benzoate is 250.15689 g/mol.
Where can I buy Ethyl 4-(hexyloxy)benzoate?
You can request a quote for Ethyl 4-(hexyloxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(hexyloxy)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(hexyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.