Allyl p-methylbenzyl ether
TL;DR: Allyl p-methylbenzyl ether (CAS 42463-79-6) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(prop-2-enoxymethyl)benzene
Also Known As: Allyl p-methylbenzyl ether, Allyl 4-methylbenzyl ether, Ether, allyl p-methylbenzyl, Allyl(4-methylbenzyl) ether, 1-allyloxymethyl-4-methylbenzene
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 42463-79-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COCC=C |
| InChIKey | GWYIZVBRIVPDIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl p-methylbenzyl ether (CAS 42463-79-6), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 1-methyl-4-(prop-2-enoxymethyl)benzene.
Chemical Property Profile of Allyl p-methylbenzyl ether
Property Insights of Allyl p-methylbenzyl ether
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl p-methylbenzyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Allyl p-methylbenzyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl p-methylbenzyl 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 Allyl p-methylbenzyl ether?
The CAS number of Allyl p-methylbenzyl ether is 42463-79-6.
What is the molecular formula of Allyl p-methylbenzyl ether?
The molecular formula of Allyl p-methylbenzyl ether is C11H14O.
What is the molecular weight of Allyl p-methylbenzyl ether?
The molecular weight of Allyl p-methylbenzyl ether is 162.10 g/mol.
Where can I buy Allyl p-methylbenzyl ether?
You can request a quote for Allyl p-methylbenzyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl p-methylbenzyl ether?
Yes, KEHONG BIO provides custom synthesis services for Allyl p-methylbenzyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.