1-(3-Bromophenyl)ethanol
TL;DR: 1-(3-Bromophenyl)ethanol (CAS 52780-14-0) is a chemical compound with molecular formula C8H9BrO and molecular weight 199.98367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromophenyl)ethanol
Also Known As: 1-(3-bromophenyl)ethanol, 3-Bromo-alpha-methylbenzyl alcohol, 1-(3-bromophenyl)ethan-1-ol, 3-bromophenyl-ethanol, 3-Bromophenyl methyl carbinol
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9BrO |
| Molecular Weight | 199.98367 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.98367 Da |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
| SMILES | CC(C1=CC(=CC=C1)Br)O |
| InChIKey | ULMJQMDYAOJNCC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Bromophenyl)ethanol
Property Insights of 1-(3-Bromophenyl)ethanol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromophenyl)ethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-(3-Bromophenyl)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromophenyl)ethanol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Bromophenyl)ethanol?
The CAS number of 1-(3-Bromophenyl)ethanol is 52780-14-0.
What is the molecular formula of 1-(3-Bromophenyl)ethanol?
The molecular formula of 1-(3-Bromophenyl)ethanol is C8H9BrO.
What is the molecular weight of 1-(3-Bromophenyl)ethanol?
The molecular weight of 1-(3-Bromophenyl)ethanol is 199.98367 g/mol.
Where can I buy 1-(3-Bromophenyl)ethanol?
You can request a quote for 1-(3-Bromophenyl)ethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Bromophenyl)ethanol?
Yes, CoreyChem provides custom synthesis services for 1-(3-Bromophenyl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.