p-Isopropylphenyl allyl ether
TL;DR: p-Isopropylphenyl allyl ether (CAS 71029-37-3) 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-4-prop-2-enoxybenzene
Also Known As: p-Isopropylphenyl allyl ether, 1-(allyloxy)-4-isopropylbenzene, allyl p-iso-propylphenyl ether, (4-Isopropylphenyl)allyl ether, allyl (4-isopropylphenyl) ether
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.7 |
| 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 | 143.0 |
Chemical Identifiers
| CAS Number | 71029-37-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC=C |
| InChIKey | QVGYGYMFMUBSHD-UHFFFAOYSA-N |
Product Overview
p-Isopropylphenyl allyl ether (CAS 71029-37-3), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-propan-2-yl-4-prop-2-enoxybenzene.
Chemical Property Profile of p-Isopropylphenyl allyl ether
Property Insights of p-Isopropylphenyl allyl ether
The XLogP value of 3.7 indicates that p-Isopropylphenyl allyl 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, p-Isopropylphenyl allyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Isopropylphenyl allyl 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 p-Isopropylphenyl allyl ether?
The CAS number of p-Isopropylphenyl allyl ether is 71029-37-3.
What is the molecular formula of p-Isopropylphenyl allyl ether?
The molecular formula of p-Isopropylphenyl allyl ether is C12H16O.
What is the molecular weight of p-Isopropylphenyl allyl ether?
The molecular weight of p-Isopropylphenyl allyl ether is 176.12 g/mol.
Where can I buy p-Isopropylphenyl allyl ether?
You can request a quote for p-Isopropylphenyl allyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Isopropylphenyl allyl ether?
Yes, KEHONG BIO provides custom synthesis services for p-Isopropylphenyl allyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.