3-(2-Chlorophenoxy)-1,2-propanediol
TL;DR: 3-(2-Chlorophenoxy)-1,2-propanediol (CAS 5112-21-0) is a chemical compound with molecular formula C9H11ClO3 and molecular weight 202.03967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenoxy)propane-1,2-diol
Also Known As: o-Chlorphenesin, 3- -1,2-propanediol, 3-(2-chlorophenoxy)propane-1,2-diol, 3-(o-Chlorophenoxy)-1,2-propanediol, 3-(2-Chlorophenoxy)-1,2-propanediol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11ClO3 |
| Molecular Weight | 202.03967 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.03967 Da |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
| SMILES | C1=CC=C(C(=C1)OCC(CO)O)Cl |
| InChIKey | UEDJPYLQEIVDLD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Chlorophenoxy)-1,2-propanediol
Property Insights of 3-(2-Chlorophenoxy)-1,2-propanediol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenoxy)-1,2-propanediol. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(2-Chlorophenoxy)-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorophenoxy)-1,2-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
What is the CAS number of 3-(2-Chlorophenoxy)-1,2-propanediol?
The CAS number of 3-(2-Chlorophenoxy)-1,2-propanediol is 5112-21-0.
What is the molecular formula of 3-(2-Chlorophenoxy)-1,2-propanediol?
The molecular formula of 3-(2-Chlorophenoxy)-1,2-propanediol is C9H11ClO3.
What is the molecular weight of 3-(2-Chlorophenoxy)-1,2-propanediol?
The molecular weight of 3-(2-Chlorophenoxy)-1,2-propanediol is 202.03967 g/mol.
Where can I buy 3-(2-Chlorophenoxy)-1,2-propanediol?
You can request a quote for 3-(2-Chlorophenoxy)-1,2-propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Chlorophenoxy)-1,2-propanediol?
Yes, CoreyChem provides custom synthesis services for 3-(2-Chlorophenoxy)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.