2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol
TL;DR: 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol (CAS 3840-34-4) 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.
2-[(4-chlorophenoxy)methyl]-2-methylpropane-1,3-diol
Also Known As: 1,3-Propanediol, 2-((p-chlorophenoxy)methyl)-2-methyl-, 2-[(4-chlorophenoxy)methyl]-2-methylpropane-1,3-diol, 2-((p-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol, 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol, 2-[(p-Chlorophenoxy)methyl]-2-methyl-1,3-propanediol
| 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 | 5 |
| Exact Mass | 230.07097 |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 3840-34-4 |
|---|---|
| SMILES | CC(CO)(CO)COC1=CC=C(C=C1)Cl |
| InChIKey | XWUXMWZJWUMOOO-UHFFFAOYSA-N |
Product Overview
2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol (CAS 3840-34-4), with molecular formula C11H15ClO3 and molecular weight 230.07 g/mol. IUPAC: 2-[(4-chlorophenoxy)methyl]-2-methylpropane-1,3-diol.
Chemical Property Profile of 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol
Property Insights of 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol. With a topological polar surface area (TPSA) of 49.7 Ų, 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol 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 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol?
The CAS number of 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol is 3840-34-4.
What is the molecular formula of 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol?
The molecular formula of 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol is C11H15ClO3.
What is the molecular weight of 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol?
The molecular weight of 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol is 230.07 g/mol.
Where can I buy 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol?
You can request a quote for 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.