1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol
TL;DR: 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol (CAS 6942-27-4) is a chemical compound with molecular formula C13H19ClO and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2,4-dimethylpentan-2-ol
Also Known As: 1-(2-chlorophenyl)-2,4-dimethylpentan-2-ol, KST-1B7612, Benzeneethanol,2-chloro-a-methyl-a-(2-methylpropyl)-, (2-chloro-7,7-dimethylbicyclo[2.2.1]hept-1-yl)acetic acid
| Molecular Formula | C13H19ClO |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.11244 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 6942-27-4 |
|---|---|
| SMILES | CC(C)CC(C)(CC1=CC=CC=C1Cl)O |
| InChIKey | VQXOHFQEUMTKKW-UHFFFAOYSA-N |
Product Overview
1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol (CAS 6942-27-4), with molecular formula C13H19ClO and molecular weight 226.11 g/mol. IUPAC: 1-(2-chlorophenyl)-2,4-dimethylpentan-2-ol.
Chemical Property Profile of 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol
Property Insights of 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol
The XLogP value of 4.1 indicates that 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol 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 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol?
The CAS number of 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol is 6942-27-4.
What is the molecular formula of 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol?
The molecular formula of 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol is C13H19ClO.
What is the molecular weight of 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol?
The molecular weight of 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol is 226.11 g/mol.
Where can I buy 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol?
You can request a quote for 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)-2,4-dimethylpentan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.