4-Isopropylbenzyl methyl ether
TL;DR: 4-Isopropylbenzyl methyl ether (CAS 21494-69-9) 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.
1-(methoxymethyl)-4-propan-2-ylbenzene
Also Known As: 4-Isopropylbenzyl methyl ether, 1-Isopropyl-4-methoxymethylbenzene, 4-Isopropylbenzyl methyl ether #, 1-(methoxymethyl)-4-propan-2-ylbenzene, p-(methoxymethyl)-isopropylbenzene
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 21494-69-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)COC |
| InChIKey | USDZMJSIPOOFFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylbenzyl methyl ether (CAS 21494-69-9), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 1-(methoxymethyl)-4-propan-2-ylbenzene.
Chemical Property Profile of 4-Isopropylbenzyl methyl ether
Property Insights of 4-Isopropylbenzyl methyl ether
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropylbenzyl methyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Isopropylbenzyl methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylbenzyl methyl ether 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 4-Isopropylbenzyl methyl ether?
The CAS number of 4-Isopropylbenzyl methyl ether is 21494-69-9.
What is the molecular formula of 4-Isopropylbenzyl methyl ether?
The molecular formula of 4-Isopropylbenzyl methyl ether is C11H16O.
What is the molecular weight of 4-Isopropylbenzyl methyl ether?
The molecular weight of 4-Isopropylbenzyl methyl ether is 164.12 g/mol.
Where can I buy 4-Isopropylbenzyl methyl ether?
You can request a quote for 4-Isopropylbenzyl methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylbenzyl methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylbenzyl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.