1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone
TL;DR: 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone (CAS 13667-28-2) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-hydroxy-2,3,4-trimethylphenyl)ethanone
Also Known As: 3-Acetyl-4,5,6-trimethylphenol, 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone, 5'-Hydroxy-2',3',4'-trimethylacetophenone, 5/'-Hydroxy-2/',3/',4/'-trimethylacetophenone, 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone #
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 13667-28-2 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1C)O)C(=O)C)C |
| InChIKey | MZAKYHOEXBCUPJ-UHFFFAOYSA-N |
Product Overview
1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone (CAS 13667-28-2), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1-(5-hydroxy-2,3,4-trimethylphenyl)ethanone.
Chemical Property Profile of 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone
Property Insights of 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone 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 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone?
The CAS number of 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone is 13667-28-2.
What is the molecular formula of 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone?
The molecular formula of 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone is C11H14O2.
What is the molecular weight of 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone?
The molecular weight of 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone is 178.10 g/mol.
Where can I buy 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone?
You can request a quote for 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Hydroxy-2,3,4-trimethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.