4-(4-Nitrobenzyl)phenol
TL;DR: 4-(4-Nitrobenzyl)phenol (CAS 25085-46-5) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methyl]phenol
Also Known As: 4-(4-nitrobenzyl)phenol, 4-[(4-nitrophenyl)methyl]phenol, NCIOpen2_005210, 4-hydroxy-4'-nitrodiphenylmethane, Phenol,4-[(4-nitrophenyl)methyl]-
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 25085-46-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)O)[N+](=O)[O-] |
| InChIKey | LFZQCJLFQTXGKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Nitrobenzyl)phenol (CAS 25085-46-5), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 4-[(4-nitrophenyl)methyl]phenol.
Chemical Property Profile of 4-(4-Nitrobenzyl)phenol
Property Insights of 4-(4-Nitrobenzyl)phenol
The XLogP value of 3.1 indicates that 4-(4-Nitrobenzyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrobenzyl)phenol. Following Lipinski's Rule of Five, 4-(4-Nitrobenzyl)phenol 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 4-(4-Nitrobenzyl)phenol?
The CAS number of 4-(4-Nitrobenzyl)phenol is 25085-46-5.
What is the molecular formula of 4-(4-Nitrobenzyl)phenol?
The molecular formula of 4-(4-Nitrobenzyl)phenol is C13H11NO3.
What is the molecular weight of 4-(4-Nitrobenzyl)phenol?
The molecular weight of 4-(4-Nitrobenzyl)phenol is 229.07 g/mol.
Where can I buy 4-(4-Nitrobenzyl)phenol?
You can request a quote for 4-(4-Nitrobenzyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrobenzyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrobenzyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.