Allyl o-i-propylphenyl ether
TL;DR: Allyl o-i-propylphenyl ether (CAS 942-58-5) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-2-prop-2-enoxybenzene
Also Known As: Allyl O-Cumenyl Ether, allyl o-i-propylphenyl ether, 1-(allyloxy)-2-isopropylbenzene, 2-Isopropylphenylallyl ether, 1-propan-2-yl-2-prop-2-enoxybenzene
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 942-58-5 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OCC=C |
| InChIKey | ZRTGNSUOVSGTFW-UHFFFAOYSA-N |
Product Overview
Allyl o-i-propylphenyl ether (CAS 942-58-5), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-propan-2-yl-2-prop-2-enoxybenzene.
Chemical Property Profile of Allyl o-i-propylphenyl ether
Property Insights of Allyl o-i-propylphenyl ether
The XLogP value of 3.9 indicates that Allyl o-i-propylphenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Allyl o-i-propylphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl o-i-propylphenyl 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 o-i-propylphenyl ether?
The CAS number of Allyl o-i-propylphenyl ether is 942-58-5.
What is the molecular formula of Allyl o-i-propylphenyl ether?
The molecular formula of Allyl o-i-propylphenyl ether is C12H16O.
What is the molecular weight of Allyl o-i-propylphenyl ether?
The molecular weight of Allyl o-i-propylphenyl ether is 176.12 g/mol.
Where can I buy Allyl o-i-propylphenyl ether?
You can request a quote for Allyl o-i-propylphenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl o-i-propylphenyl ether?
Yes, KEHONG BIO provides custom synthesis services for Allyl o-i-propylphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.