1-(3-Bromophenyl)but-3-en-1-ol
TL;DR: 1-(3-Bromophenyl)but-3-en-1-ol (CAS 114095-73-7) is a chemical compound with molecular formula C10H11BrO and molecular weight 225.99933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromophenyl)but-3-en-1-ol
Also Known As: 1-(3-bromophenyl)but-3-en-1-ol, 4-(3-Bromophenyl)-1-buten-4-ol, 3-Bromo-alpha-allylbenzyl alcohol, alpha-Allyl-3-bromobenzenemethanol, 1-(3-bromophenyl)-3-buten-1-ol
Technical Specifications
| Molecular Formula | C10H11BrO |
| Molecular Weight | 225.99933 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.99933 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| SMILES | C=CCC(C1=CC(=CC=C1)Br)O |
| InChIKey | CREBZCVYMPZHFQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Bromophenyl)but-3-en-1-ol
Property Insights of 1-(3-Bromophenyl)but-3-en-1-ol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromophenyl)but-3-en-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-(3-Bromophenyl)but-3-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromophenyl)but-3-en-1-ol 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)but-3-en-1-ol?
The CAS number of 1-(3-Bromophenyl)but-3-en-1-ol is 114095-73-7.
What is the molecular formula of 1-(3-Bromophenyl)but-3-en-1-ol?
The molecular formula of 1-(3-Bromophenyl)but-3-en-1-ol is C10H11BrO.
What is the molecular weight of 1-(3-Bromophenyl)but-3-en-1-ol?
The molecular weight of 1-(3-Bromophenyl)but-3-en-1-ol is 225.99933 g/mol.
Where can I buy 1-(3-Bromophenyl)but-3-en-1-ol?
You can request a quote for 1-(3-Bromophenyl)but-3-en-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Bromophenyl)but-3-en-1-ol?
Yes, CoreyChem provides custom synthesis services for 1-(3-Bromophenyl)but-3-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.