3-Chloro-alpha-methylbenzenemethanol
TL;DR: 3-Chloro-alpha-methylbenzenemethanol (CAS 6939-95-3) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)ethanol
Also Known As: 1-(3-chlorophenyl)ethanol, 3-Chloro-alpha-methylbenzyl alcohol, Lacto-N-tetraose, 1-(3-chlorophenyl)ethan-1-ol, 3-chlorophenylethanol
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 6939-95-3 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)Cl)O |
| InChIKey | QYUQVBHGBPRDKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-alpha-methylbenzenemethanol (CAS 6939-95-3), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 1-(3-chlorophenyl)ethanol.
Chemical Property Profile of 3-Chloro-alpha-methylbenzenemethanol
Property Insights of 3-Chloro-alpha-methylbenzenemethanol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-alpha-methylbenzenemethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Chloro-alpha-methylbenzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-alpha-methylbenzenemethanol 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 3-Chloro-alpha-methylbenzenemethanol?
The CAS number of 3-Chloro-alpha-methylbenzenemethanol is 6939-95-3.
What is the molecular formula of 3-Chloro-alpha-methylbenzenemethanol?
The molecular formula of 3-Chloro-alpha-methylbenzenemethanol is C8H9ClO.
What is the molecular weight of 3-Chloro-alpha-methylbenzenemethanol?
The molecular weight of 3-Chloro-alpha-methylbenzenemethanol is 156.03 g/mol.
Where can I buy 3-Chloro-alpha-methylbenzenemethanol?
You can request a quote for 3-Chloro-alpha-methylbenzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-alpha-methylbenzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-alpha-methylbenzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.