1-(4'-Nitrophenyl)-2-propyn-1-ol
TL;DR: 1-(4'-Nitrophenyl)-2-propyn-1-ol (CAS 83184-14-9) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)prop-2-yn-1-ol
Also Known As: 1-(4-nitrophenyl)prop-2-yn-1-ol, 1-Nppyo, 1-(4-Nitrophenyl)-2-propyn-1-ol, 1-(4'-Nitrophenyl)-2-propyn-1-ol, alpha-Ethynyl-4-nitrobenzenemethanol
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 83184-14-9 |
|---|---|
| SMILES | C#CC(C1=CC=C(C=C1)[N+](=O)[O-])O |
| InChIKey | PDUTVNAUVBKDTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4'-Nitrophenyl)-2-propyn-1-ol (CAS 83184-14-9), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 1-(4-nitrophenyl)prop-2-yn-1-ol.
Chemical Property Profile of 1-(4'-Nitrophenyl)-2-propyn-1-ol
Property Insights of 1-(4'-Nitrophenyl)-2-propyn-1-ol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4'-Nitrophenyl)-2-propyn-1-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4'-Nitrophenyl)-2-propyn-1-ol. Following Lipinski's Rule of Five, 1-(4'-Nitrophenyl)-2-propyn-1-ol 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 1-(4'-Nitrophenyl)-2-propyn-1-ol?
The CAS number of 1-(4'-Nitrophenyl)-2-propyn-1-ol is 83184-14-9.
What is the molecular formula of 1-(4'-Nitrophenyl)-2-propyn-1-ol?
The molecular formula of 1-(4'-Nitrophenyl)-2-propyn-1-ol is C9H7NO3.
What is the molecular weight of 1-(4'-Nitrophenyl)-2-propyn-1-ol?
The molecular weight of 1-(4'-Nitrophenyl)-2-propyn-1-ol is 177.04 g/mol.
Where can I buy 1-(4'-Nitrophenyl)-2-propyn-1-ol?
You can request a quote for 1-(4'-Nitrophenyl)-2-propyn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4'-Nitrophenyl)-2-propyn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4'-Nitrophenyl)-2-propyn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.