4-Chloro-alpha,alpha-dimethylbenzeneethanol
TL;DR: 4-Chloro-alpha,alpha-dimethylbenzeneethanol (CAS 5468-97-3) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-methylpropan-2-ol
Also Known As: 1-(4-chlorophenyl)-2-methylpropan-2-ol, 1-(4-Chlorophenyl)-2-methyl-2-propanol, Permanent Yellow G, 2-p-Chlorbenzyl-2-propanol, 2-(4-Chlorophenyl)-1,1-dimethylethanol
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 5468-97-3 |
|---|---|
| SMILES | CC(C)(CC1=CC=C(C=C1)Cl)O |
| InChIKey | WAAJRPRSQXYYAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-alpha,alpha-dimethylbenzeneethanol (CAS 5468-97-3), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 1-(4-chlorophenyl)-2-methylpropan-2-ol.
Chemical Property Profile of 4-Chloro-alpha,alpha-dimethylbenzeneethanol
Property Insights of 4-Chloro-alpha,alpha-dimethylbenzeneethanol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-alpha,alpha-dimethylbenzeneethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chloro-alpha,alpha-dimethylbenzeneethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-alpha,alpha-dimethylbenzeneethanol 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 4-Chloro-alpha,alpha-dimethylbenzeneethanol?
The CAS number of 4-Chloro-alpha,alpha-dimethylbenzeneethanol is 5468-97-3.
What is the molecular formula of 4-Chloro-alpha,alpha-dimethylbenzeneethanol?
The molecular formula of 4-Chloro-alpha,alpha-dimethylbenzeneethanol is C10H13ClO.
What is the molecular weight of 4-Chloro-alpha,alpha-dimethylbenzeneethanol?
The molecular weight of 4-Chloro-alpha,alpha-dimethylbenzeneethanol is 184.07 g/mol.
Where can I buy 4-Chloro-alpha,alpha-dimethylbenzeneethanol?
You can request a quote for 4-Chloro-alpha,alpha-dimethylbenzeneethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-alpha,alpha-dimethylbenzeneethanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-alpha,alpha-dimethylbenzeneethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.