3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol
TL;DR: 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol (CAS 63834-74-2) is a chemical compound with molecular formula C11H15ClO3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-methylphenoxy)-2-methylpropane-1,2-diol
Also Known As: 3-(4-chloro-3-methylphenoxy)-2-methylpropane-1,2-diol, 3-(4-Chloro-m-tolyloxy)-2-methyl-1,2-propanediol, 1,2-Propanediol, 3-(4-chloro-m-tolyloxy)-2-methyl-, 4-06-00-02064 (Beilstein Handbook Reference), 1,2-Propanediol, 3-(4-chloro-3-methylphenoxy)-2-methyl-
| Molecular Formula | C11H15ClO3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.07097 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 63834-74-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(C)(CO)O)Cl |
| InChIKey | QYSUVIBYLINMGG-UHFFFAOYSA-N |
Product Overview
3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol (CAS 63834-74-2), with molecular formula C11H15ClO3 and molecular weight 230.07 g/mol. IUPAC: 3-(4-chloro-3-methylphenoxy)-2-methylpropane-1,2-diol.
Chemical Property Profile of 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol
Property Insights of 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol has 2 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 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol?
The CAS number of 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol is 63834-74-2.
What is the molecular formula of 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol?
The molecular formula of 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol is C11H15ClO3.
What is the molecular weight of 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol?
The molecular weight of 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol is 230.07 g/mol.
Where can I buy 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol?
You can request a quote for 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-3-methylphenoxy)-2-methylpropane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.