3-Hydroxyphenacyl bromide
TL;DR: 3-Hydroxyphenacyl bromide (CAS 134234-04-1) is a chemical compound with molecular formula C8H7BrO2 and molecular weight 213.96294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(3-hydroxyphenyl)ethanone
Also Known As: 2-bromo-1-(3-hydroxyphenyl)ethanone, 2-Bromo-3'-hydroxyacetophenone, 3-Hydroxyphenacyl bromide, m-bromoacetylphenol, 2-Bromo-3-Hydroxyacetophenone
Technical Specifications
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 213.96294 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.96294 Da |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
| SMILES | C1=CC(=CC(=C1)O)C(=O)CBr |
| InChIKey | IEPSGFQQGKPTPM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxyphenacyl bromide
Property Insights of 3-Hydroxyphenacyl bromide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyphenacyl bromide. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxyphenacyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyphenacyl bromide 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
What is the CAS number of 3-Hydroxyphenacyl bromide?
The CAS number of 3-Hydroxyphenacyl bromide is 134234-04-1.
What is the molecular formula of 3-Hydroxyphenacyl bromide?
The molecular formula of 3-Hydroxyphenacyl bromide is C8H7BrO2.
What is the molecular weight of 3-Hydroxyphenacyl bromide?
The molecular weight of 3-Hydroxyphenacyl bromide is 213.96294 g/mol.
Where can I buy 3-Hydroxyphenacyl bromide?
You can request a quote for 3-Hydroxyphenacyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxyphenacyl bromide?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxyphenacyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.