3,4-Dimethoxy-5-methylphenol
TL;DR: 3,4-Dimethoxy-5-methylphenol (CAS 100668-75-5) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-5-methylphenol
Also Known As: 3,4-dimethoxy-5-methylphenol, phenol, 3,4-dimethoxy-5-methyl-, InChI=1/C9H12O3/c1-6-4-7(10)5-8(11-2)9(6)12-3/h4-5,10H,1-3H
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 100668-75-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC)OC)O |
| InChIKey | PEXUNKRRNXIMST-UHFFFAOYSA-N |
Product Overview
3,4-Dimethoxy-5-methylphenol (CAS 100668-75-5), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 3,4-dimethoxy-5-methylphenol.
Chemical Property Profile of 3,4-Dimethoxy-5-methylphenol
Property Insights of 3,4-Dimethoxy-5-methylphenol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxy-5-methylphenol. With a topological polar surface area (TPSA) of 38.7 Ų, 3,4-Dimethoxy-5-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxy-5-methylphenol has 1 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 3,4-Dimethoxy-5-methylphenol?
The CAS number of 3,4-Dimethoxy-5-methylphenol is 100668-75-5.
What is the molecular formula of 3,4-Dimethoxy-5-methylphenol?
The molecular formula of 3,4-Dimethoxy-5-methylphenol is C9H12O3.
What is the molecular weight of 3,4-Dimethoxy-5-methylphenol?
The molecular weight of 3,4-Dimethoxy-5-methylphenol is 168.08 g/mol.
Where can I buy 3,4-Dimethoxy-5-methylphenol?
You can request a quote for 3,4-Dimethoxy-5-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxy-5-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxy-5-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.