1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-
TL;DR: 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- (CAS 63991-96-8) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(3-methylphenoxy)propane-1,2-diol
Also Known As: 2-Methyl-3-(m-tolyloxy)-1,2-propanediol, 2-methyl-3-(3-methylphenoxy)propane-1,2-diol, 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-, 2-Methyl-3-m-tolyloxy-propan-1,2-diol, 2-methyl-3-m-tolyloxy-propane-1,2-diol
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 63991-96-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(C)(CO)O |
| InChIKey | RSTUMYIIRQDRKC-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- (CAS 63991-96-8), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 2-methyl-3-(3-methylphenoxy)propane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-
Property Insights of 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- 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 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-?
The CAS number of 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- is 63991-96-8.
What is the molecular formula of 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-?
The molecular formula of 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- is C11H16O3.
What is the molecular weight of 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-?
The molecular weight of 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- is 196.11 g/mol.
Where can I buy 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-?
You can request a quote for 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 2-methyl-3-(m-tolyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.