3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one
TL;DR: 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one (CAS 136796-00-4) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one
Also Known As: 3-(4-acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one, 3-(4-acetyl-2-hydroxy-phenyl)-3-methoxy-butan-2-one
Technical Specifications
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.10486 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.10486 Da |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
| SMILES | CC(=O)C1=CC(=C(C=C1)C(C)(C(=O)C)OC)O |
| InChIKey | ALJDYZBMOUETDA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one
Property Insights of 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one. Following Lipinski's Rule of Five, 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one?
The CAS number of 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one is 136796-00-4.
What is the molecular formula of 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one?
The molecular formula of 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one is C13H16O4.
What is the molecular weight of 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one?
The molecular weight of 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one is 236.10486 g/mol.
Where can I buy 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one?
You can request a quote for 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-Acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.