alpha-Isopropylbenzyl alcohol
TL;DR: alpha-Isopropylbenzyl alcohol (CAS 98656-16-7) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1-phenylpropoxy)carbonylbenzoic acid
Also Known As: alpha-Isopropylbenzyl alcohol, 2-Methyl-1-phenyl-propan-1-ol, 2-[(2-methyl-1-phenylpropoxy)carbonyl]benzoic acid, 2-(2-methyl-1-phenylpropoxy)carbonylbenzoic acid, AN-651/43278408
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.9389 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 661.7972 |
Chemical Identifiers
| CAS Number | 98656-16-7 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
alpha-Isopropylbenzyl alcohol (CAS 98656-16-7), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 2-(2-methyl-1-phenylpropoxy)carbonylbenzoic acid.
Chemical Property Profile of alpha-Isopropylbenzyl alcohol
Property Insights of alpha-Isopropylbenzyl alcohol
The XLogP value of 3.9389 indicates that alpha-Isopropylbenzyl alcohol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Isopropylbenzyl alcohol. Following Lipinski's Rule of Five, alpha-Isopropylbenzyl alcohol has 1 hydrogen bond donor(s) and 3 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 alpha-Isopropylbenzyl alcohol?
The CAS number of alpha-Isopropylbenzyl alcohol is 98656-16-7.
What is the molecular formula of alpha-Isopropylbenzyl alcohol?
The molecular formula of alpha-Isopropylbenzyl alcohol is C18H18O4.
What is the molecular weight of alpha-Isopropylbenzyl alcohol?
The molecular weight of alpha-Isopropylbenzyl alcohol is 298.12 g/mol.
Where can I buy alpha-Isopropylbenzyl alcohol?
You can request a quote for alpha-Isopropylbenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Isopropylbenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Isopropylbenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.