1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one)
TL;DR: 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) (CAS 16475-85-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-4-hydroxy-2-methylphenyl)ethanone
Also Known As: 2,4-Diacetyl-5-methylphenol, 1-(5-acetyl-4-hydroxy-2-methylphenyl)ethanone, 1,1'-(4-hydroxy-6-methyl-1,3-phenylene)diethanone, 2/'-Hydroxy-4/'-methyl-5/'-acetylacetophenone, 1-(5-acetyl-2-hydroxy-4-methyl-phenyl)ethanone
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.10582 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 369.98883 |
Chemical Identifiers
| CAS Number | 16475-85-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)C)C(=O)C)O |
Product Overview
1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) (CAS 16475-85-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1-(5-acetyl-4-hydroxy-2-methylphenyl)ethanone.
Chemical Property Profile of 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one)
Property Insights of 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one)
The XLogP value of 2.10582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one). With a topological polar surface area (TPSA) of 54.37 Ų, 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) 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
Frequently Asked Questions
What is the CAS number of 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one)?
The CAS number of 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) is 16475-85-7.
What is the molecular formula of 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one)?
The molecular formula of 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) is C11H12O3.
What is the molecular weight of 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one)?
The molecular weight of 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) is 192.08 g/mol.
Where can I buy 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one)?
You can request a quote for 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Hydroxy-6-methyl-1,3-phenylene)di(ethan-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.