![[(Butan-2-yloxy)methyl]benzene structure](/static/products/940/940-44-3.png)
[(Butan-2-yloxy)methyl]benzene
TL;DR: [(Butan-2-yloxy)methyl]benzene (CAS 940-44-3) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yloxymethylbenzene
Also Known As: 2-(Benzyloxy)butane, sec-Butylbenzyl ether, s-butoxymethyl-benzene, benzyl sec-butyl ether, butan-2-yloxymethylbenzene
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 940-44-3 |
|---|---|
| SMILES | CCC(C)OCC1=CC=CC=C1 |
| InChIKey | LCQVWUUQYVVDLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(Butan-2-yloxy)methyl]benzene (CAS 940-44-3), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: butan-2-yloxymethylbenzene.
Chemical Property Profile of [(Butan-2-yloxy)methyl]benzene
Property Insights of [(Butan-2-yloxy)methyl]benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Butan-2-yloxy)methyl]benzene. With a topological polar surface area (TPSA) of 9.2 Ų, [(Butan-2-yloxy)methyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Butan-2-yloxy)methyl]benzene has 0 hydrogen bond donor(s) and 1 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 [(Butan-2-yloxy)methyl]benzene?
The CAS number of [(Butan-2-yloxy)methyl]benzene is 940-44-3.
What is the molecular formula of [(Butan-2-yloxy)methyl]benzene?
The molecular formula of [(Butan-2-yloxy)methyl]benzene is C11H16O.
What is the molecular weight of [(Butan-2-yloxy)methyl]benzene?
The molecular weight of [(Butan-2-yloxy)methyl]benzene is 164.12 g/mol.
Where can I buy [(Butan-2-yloxy)methyl]benzene?
You can request a quote for [(Butan-2-yloxy)methyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Butan-2-yloxy)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(Butan-2-yloxy)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.