1-(2-Methylphenoxy)butane-2,3-diol
TL;DR: 1-(2-Methylphenoxy)butane-2,3-diol (CAS 63991-95-7) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methylphenoxy)butane-2,3-diol
Also Known As: 1-(2-methylphenoxy)butane-2,3-diol, Cytidine5'-triphosphate, 1- -2,3-butanediol, 1-(o-Tolyloxy)-2,3-butanediol, 1-o-tolyloxy-butane-2,3-diol
Technical Specifications
| Molecular Formula | C11H16O3 |
| Molecular Weight | 196.10994 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.10994 Da |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
| SMILES | CC1=CC=CC=C1OCC(C(C)O)O |
| InChIKey | IPOLRLFQPJCFET-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Methylphenoxy)butane-2,3-diol
Property Insights of 1-(2-Methylphenoxy)butane-2,3-diol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methylphenoxy)butane-2,3-diol. With a topological polar surface area (TPSA) of 49.7 Ų, 1-(2-Methylphenoxy)butane-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylphenoxy)butane-2,3-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
What is the CAS number of 1-(2-Methylphenoxy)butane-2,3-diol?
The CAS number of 1-(2-Methylphenoxy)butane-2,3-diol is 63991-95-7.
What is the molecular formula of 1-(2-Methylphenoxy)butane-2,3-diol?
The molecular formula of 1-(2-Methylphenoxy)butane-2,3-diol is C11H16O3.
What is the molecular weight of 1-(2-Methylphenoxy)butane-2,3-diol?
The molecular weight of 1-(2-Methylphenoxy)butane-2,3-diol is 196.10994 g/mol.
Where can I buy 1-(2-Methylphenoxy)butane-2,3-diol?
You can request a quote for 1-(2-Methylphenoxy)butane-2,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Methylphenoxy)butane-2,3-diol?
Yes, CoreyChem provides custom synthesis services for 1-(2-Methylphenoxy)butane-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.