1-Benzyloxy-2-butanol
TL;DR: 1-Benzyloxy-2-butanol (CAS 117039-90-4) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylmethoxybutan-2-ol
Also Known As: 1-Benzyloxy-2-butanol, 1-(benzyloxy)butan-2-ol, 1-phenylmethoxybutan-2-ol, 3-chloroazocan-2-one, 1-benzyloxybutan-2-ol
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.11504 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.11504 Da |
| Heavy Atoms | 13 |
| Complexity | 119.0 |
| SMILES | CCC(COCC1=CC=CC=C1)O |
| InChIKey | ZBNXMTHJYVSJGZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyloxy-2-butanol
Property Insights of 1-Benzyloxy-2-butanol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyloxy-2-butanol. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Benzyloxy-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyloxy-2-butanol 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 1-Benzyloxy-2-butanol?
The CAS number of 1-Benzyloxy-2-butanol is 117039-90-4.
What is the molecular formula of 1-Benzyloxy-2-butanol?
The molecular formula of 1-Benzyloxy-2-butanol is C11H16O2.
What is the molecular weight of 1-Benzyloxy-2-butanol?
The molecular weight of 1-Benzyloxy-2-butanol is 180.11504 g/mol.
Where can I buy 1-Benzyloxy-2-butanol?
You can request a quote for 1-Benzyloxy-2-butanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyloxy-2-butanol?
Yes, CoreyChem provides custom synthesis services for 1-Benzyloxy-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.