4'-Hexyloxyacetophenone
TL;DR: 4'-Hexyloxyacetophenone (CAS 5736-96-9) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hexoxyphenyl)ethanone
Also Known As: 4-Hexyloxyacetophenone, 4'-hexyloxyacetophenone, 1-(4-hexoxyphenyl)ethanone, 1-(4-Hexyloxyphenyl)ethanone, 4 -(Hexyloxy)acetophenone
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 5736-96-9 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)C |
| InChIKey | SIBFSGJONZDFSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Hexyloxyacetophenone (CAS 5736-96-9), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 1-(4-hexoxyphenyl)ethanone.
Chemical Property Profile of 4'-Hexyloxyacetophenone
Property Insights of 4'-Hexyloxyacetophenone
The XLogP value of 4.0 indicates that 4'-Hexyloxyacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4'-Hexyloxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Hexyloxyacetophenone has 0 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 4'-Hexyloxyacetophenone?
The CAS number of 4'-Hexyloxyacetophenone is 5736-96-9.
What is the molecular formula of 4'-Hexyloxyacetophenone?
The molecular formula of 4'-Hexyloxyacetophenone is C14H20O2.
What is the molecular weight of 4'-Hexyloxyacetophenone?
The molecular weight of 4'-Hexyloxyacetophenone is 220.15 g/mol.
Where can I buy 4'-Hexyloxyacetophenone?
You can request a quote for 4'-Hexyloxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Hexyloxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Hexyloxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.