3-(Benzyloxy)butan-2-ol
TL;DR: 3-(Benzyloxy)butan-2-ol (CAS 124338-53-0) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylmethoxybutan-2-ol
Also Known As: 3-(benzyloxy)butan-2-ol, 3-Benzyloxy-2-butanol, 3-benzyloxybutan-2-ol, 3-phenylmethoxybutan-2-ol, 2-Butanol, 3-benzyloxy-
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 124338-53-0 |
|---|---|
| SMILES | CC(C(C)OCC1=CC=CC=C1)O |
| InChIKey | VQEAOBYESZEWRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzyloxy)butan-2-ol (CAS 124338-53-0), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 3-phenylmethoxybutan-2-ol.
Chemical Property Profile of 3-(Benzyloxy)butan-2-ol
Property Insights of 3-(Benzyloxy)butan-2-ol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzyloxy)butan-2-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(Benzyloxy)butan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzyloxy)butan-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 3-(Benzyloxy)butan-2-ol?
The CAS number of 3-(Benzyloxy)butan-2-ol is 124338-53-0.
What is the molecular formula of 3-(Benzyloxy)butan-2-ol?
The molecular formula of 3-(Benzyloxy)butan-2-ol is C11H16O2.
What is the molecular weight of 3-(Benzyloxy)butan-2-ol?
The molecular weight of 3-(Benzyloxy)butan-2-ol is 180.12 g/mol.
Where can I buy 3-(Benzyloxy)butan-2-ol?
You can request a quote for 3-(Benzyloxy)butan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzyloxy)butan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzyloxy)butan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.