(1-Benzofuran-2-yl)(4-nitrophenyl)methanol
TL;DR: (1-Benzofuran-2-yl)(4-nitrophenyl)methanol (CAS 3611-66-3) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzofuran-2-yl-(4-nitrophenyl)methanol
Also Known As: alpha-(4-Nitrophenyl)-2-benzofuranmethanol, 2-Benzofuranmethanol, alpha-(4-nitrophenyl)-, 1-benzofuran-2-yl-(4-nitrophenyl)methanol, (1-Benzofuran-2-yl)(4-nitrophenyl)methanol, 2-(alpha-hydroxy-4'-nitrobenzyl)benzofuran
| Molecular Formula | C15H11NO4 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.06882 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 3611-66-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)[N+](=O)[O-])O |
| InChIKey | VPVXOXQYVCWECX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Benzofuran-2-yl)(4-nitrophenyl)methanol (CAS 3611-66-3), with molecular formula C15H11NO4 and molecular weight 269.07 g/mol. IUPAC: 1-benzofuran-2-yl-(4-nitrophenyl)methanol.
Chemical Property Profile of (1-Benzofuran-2-yl)(4-nitrophenyl)methanol
Property Insights of (1-Benzofuran-2-yl)(4-nitrophenyl)methanol
The XLogP value of 3.0 indicates that (1-Benzofuran-2-yl)(4-nitrophenyl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Benzofuran-2-yl)(4-nitrophenyl)methanol. Following Lipinski's Rule of Five, (1-Benzofuran-2-yl)(4-nitrophenyl)methanol 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 (1-Benzofuran-2-yl)(4-nitrophenyl)methanol?
The CAS number of (1-Benzofuran-2-yl)(4-nitrophenyl)methanol is 3611-66-3.
What is the molecular formula of (1-Benzofuran-2-yl)(4-nitrophenyl)methanol?
The molecular formula of (1-Benzofuran-2-yl)(4-nitrophenyl)methanol is C15H11NO4.
What is the molecular weight of (1-Benzofuran-2-yl)(4-nitrophenyl)methanol?
The molecular weight of (1-Benzofuran-2-yl)(4-nitrophenyl)methanol is 269.07 g/mol.
Where can I buy (1-Benzofuran-2-yl)(4-nitrophenyl)methanol?
You can request a quote for (1-Benzofuran-2-yl)(4-nitrophenyl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Benzofuran-2-yl)(4-nitrophenyl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (1-Benzofuran-2-yl)(4-nitrophenyl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.