3-Nitro-p-cresol
TL;DR: 3-Nitro-p-cresol (CAS 2042-14-0) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-nitrophenol
Also Known As: 4-Methyl-3-nitrophenol, 3-NITRO-P-CRESOL, 3-Nitro-4-methylphenol, 4-methyl-3-nitro-phenol, 4-Hydroxy-2-nitrotoluene
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.04259 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.04259 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| Vapor Pressure | 0.000632 [mmHg] |
| SMILES | CC1=C(C=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | BQEXDUKMTVYBRK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-p-cresol
Property Insights of 3-Nitro-p-cresol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-p-cresol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-p-cresol. Following Lipinski's Rule of Five, 3-Nitro-p-cresol 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
What is the CAS number of 3-Nitro-p-cresol?
The CAS number of 3-Nitro-p-cresol is 2042-14-0.
What is the molecular formula of 3-Nitro-p-cresol?
The molecular formula of 3-Nitro-p-cresol is C7H7NO3.
What is the molecular weight of 3-Nitro-p-cresol?
The molecular weight of 3-Nitro-p-cresol is 153.04259 g/mol.
Where can I buy 3-Nitro-p-cresol?
You can request a quote for 3-Nitro-p-cresol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-p-cresol?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-p-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.