α-异丙基-对甲基苯甲醇
TL;DR: α-异丙基-对甲基苯甲醇 (CAS 18228-44-9) 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.
α-异丙基-对甲基苯甲醇
2-methyl-1-(4-methylphenyl)propan-1-ol
Also Known As: alpha-Isopropyl-p-methylbenzyl alcohol, 2-methyl-1-(4-methylphenyl)propan-1-ol, 2-methyl-p-tolyl-propanol, A-Isopropyl-p-methylbenzyl alcohol, 2-methyl-1-(p-tolyl)propan-1-ol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 18228-44-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(C)C)O |
| InChIKey | PKSSQQPDFFZHEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-异丙基-对甲基苯甲醇 (CAS 18228-44-9), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2-methyl-1-(4-methylphenyl)propan-1-ol.
Chemical Property Profile of α-异丙基-对甲基苯甲醇
Property Insights of α-异丙基-对甲基苯甲醇
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-异丙基-对甲基苯甲醇. With a topological polar surface area (TPSA) of 20.2 Ų, α-异丙基-对甲基苯甲醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-异丙基-对甲基苯甲醇 has 1 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 α-异丙基-对甲基苯甲醇?
The CAS number of α-异丙基-对甲基苯甲醇 is 18228-44-9.
What is the molecular formula of α-异丙基-对甲基苯甲醇?
The molecular formula of α-异丙基-对甲基苯甲醇 is C11H16O.
What is the molecular weight of α-异丙基-对甲基苯甲醇?
The molecular weight of α-异丙基-对甲基苯甲醇 is 164.12 g/mol.
Where can I buy α-异丙基-对甲基苯甲醇?
You can request a quote for α-异丙基-对甲基苯甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-异丙基-对甲基苯甲醇?
Yes, KEHONG BIO provides custom synthesis services for α-异丙基-对甲基苯甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.