1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide
TL;DR: 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide (CAS 98-49-7) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroperoxypropan-2-yl)-4-propan-2-ylbenzene
Also Known As: 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide, p-Diisorpopylbenzene hydroperoxide, DIISOPROPYLBENZENE HYDROPEROXIDE, P-DI-ISOPROPYLBENZENE HYDROPEROXIDE, 1-(2-hydroperoxypropan-2-yl)-4-propan-2-ylbenzene
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 98-49-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(C)(C)OO |
| InChIKey | HWCBEGMIBCYKST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide (CAS 98-49-7), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1-(2-hydroperoxypropan-2-yl)-4-propan-2-ylbenzene.
Chemical Property Profile of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide
Property Insights of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide has 1 hydrogen bond donor(s) and 2 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 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide?
The CAS number of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide is 98-49-7.
What is the molecular formula of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide?
The molecular formula of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide is C12H18O2.
What is the molecular weight of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide?
The molecular weight of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide is 194.13 g/mol.
Where can I buy 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide?
You can request a quote for 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.