3-(4-Methoxyphenoxy)-1,2-propanediol
TL;DR: 3-(4-Methoxyphenoxy)-1,2-propanediol (CAS 17131-52-1) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenoxy)propane-1,2-diol
Also Known As: 3-(4-Methoxyphenoxy)propane-1,2-diol, guaifenesin, 3-(4-Methoxyphenoxy)-1,2-propanediol, Guaifenesin Impurity 12, 3-(p-Methoxyphenoxy)-1,2-propanediol
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 17131-52-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC(CO)O |
| InChIKey | UWZDUHTYIUMENV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methoxyphenoxy)-1,2-propanediol (CAS 17131-52-1), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 3-(4-methoxyphenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(4-Methoxyphenoxy)-1,2-propanediol
Property Insights of 3-(4-Methoxyphenoxy)-1,2-propanediol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenoxy)-1,2-propanediol. With a topological polar surface area (TPSA) of 58.9 Ų, 3-(4-Methoxyphenoxy)-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenoxy)-1,2-propanediol has 2 hydrogen bond donor(s) and 4 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-Methoxyphenoxy)-1,2-propanediol?
The CAS number of 3-(4-Methoxyphenoxy)-1,2-propanediol is 17131-52-1.
What is the molecular formula of 3-(4-Methoxyphenoxy)-1,2-propanediol?
The molecular formula of 3-(4-Methoxyphenoxy)-1,2-propanediol is C10H14O4.
What is the molecular weight of 3-(4-Methoxyphenoxy)-1,2-propanediol?
The molecular weight of 3-(4-Methoxyphenoxy)-1,2-propanediol is 198.09 g/mol.
Where can I buy 3-(4-Methoxyphenoxy)-1,2-propanediol?
You can request a quote for 3-(4-Methoxyphenoxy)-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenoxy)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenoxy)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.