1-(Benzyloxy)but-3-EN-2-OL
TL;DR: 1-(Benzyloxy)but-3-EN-2-OL (CAS 109613-59-4) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylmethoxybut-3-en-2-ol
Also Known As: 1-(BENZYLOXY)BUT-3-EN-2-OL, 3-Buten-2-ol, 1-(phenylmethoxy)-, 1-(Benzyloxy)-3-buten-2-ol, 1-benzyloxy-3-buten-2-ol, 1-Benzyloxy-but-3-en-2-ol
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 109613-59-4 |
|---|---|
| SMILES | C=CC(COCC1=CC=CC=C1)O |
| InChIKey | JIIRJBFIWHEZQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzyloxy)but-3-EN-2-OL (CAS 109613-59-4), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1-phenylmethoxybut-3-en-2-ol.
Chemical Property Profile of 1-(Benzyloxy)but-3-EN-2-OL
Property Insights of 1-(Benzyloxy)but-3-EN-2-OL
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzyloxy)but-3-EN-2-OL. With a topological polar surface area (TPSA) of 29.5 Ų, 1-(Benzyloxy)but-3-EN-2-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzyloxy)but-3-EN-2-OL 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
Frequently Asked Questions
What is the CAS number of 1-(Benzyloxy)but-3-EN-2-OL?
The CAS number of 1-(Benzyloxy)but-3-EN-2-OL is 109613-59-4.
What is the molecular formula of 1-(Benzyloxy)but-3-EN-2-OL?
The molecular formula of 1-(Benzyloxy)but-3-EN-2-OL is C11H14O2.
What is the molecular weight of 1-(Benzyloxy)but-3-EN-2-OL?
The molecular weight of 1-(Benzyloxy)but-3-EN-2-OL is 178.10 g/mol.
Where can I buy 1-(Benzyloxy)but-3-EN-2-OL?
You can request a quote for 1-(Benzyloxy)but-3-EN-2-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyloxy)but-3-EN-2-OL?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyloxy)but-3-EN-2-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.