2-Methyl-6-nitro-3-prop-2-ynoxyphenol
TL;DR: 2-Methyl-6-nitro-3-prop-2-ynoxyphenol (CAS 681459-72-3) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-nitro-3-prop-2-ynoxyphenol
Also Known As: 2-methyl-6-nitro-3-prop-2-ynoxyphenol, 2-methyl-6-nitro-3-prop-2-ynoxy-phenol, 2-methyl-6-nitro-3-(prop-2-ynyloxy)phenol (en)Phenol, 2-meth
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.62082 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 433.7839 |
Chemical Identifiers
| CAS Number | 681459-72-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)[N+](=O)[O-])OCC#C |
Product Overview
2-Methyl-6-nitro-3-prop-2-ynoxyphenol (CAS 681459-72-3), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 2-methyl-6-nitro-3-prop-2-ynoxyphenol.
Chemical Property Profile of 2-Methyl-6-nitro-3-prop-2-ynoxyphenol
Property Insights of 2-Methyl-6-nitro-3-prop-2-ynoxyphenol
The XLogP value of 1.62082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-nitro-3-prop-2-ynoxyphenol. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-6-nitro-3-prop-2-ynoxyphenol. Following Lipinski's Rule of Five, 2-Methyl-6-nitro-3-prop-2-ynoxyphenol has 1 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 2-Methyl-6-nitro-3-prop-2-ynoxyphenol?
The CAS number of 2-Methyl-6-nitro-3-prop-2-ynoxyphenol is 681459-72-3.
What is the molecular formula of 2-Methyl-6-nitro-3-prop-2-ynoxyphenol?
The molecular formula of 2-Methyl-6-nitro-3-prop-2-ynoxyphenol is C10H9NO4.
What is the molecular weight of 2-Methyl-6-nitro-3-prop-2-ynoxyphenol?
The molecular weight of 2-Methyl-6-nitro-3-prop-2-ynoxyphenol is 207.05 g/mol.
Where can I buy 2-Methyl-6-nitro-3-prop-2-ynoxyphenol?
You can request a quote for 2-Methyl-6-nitro-3-prop-2-ynoxyphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-nitro-3-prop-2-ynoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-nitro-3-prop-2-ynoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.