2-(4-Nitrophenyl)propan-2-ol
TL;DR: 2-(4-Nitrophenyl)propan-2-ol (CAS 22357-57-9) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)propan-2-ol
Also Known As: 2-(4-nitrophenyl)propan-2-ol, 2-(4-Nitrophenyl)-2-propanol, 2-METHYL-2-(4-NITROPHENYL)-2-PROPANOL, 2-(4-Nitrophenyl)-2-propanol #, ?,?-Dimethyl-4-nitrobenZenemethanol
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 22357-57-9 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])O |
| InChIKey | BCERWYLBCDENFU-UHFFFAOYSA-N |
Product Overview
2-(4-Nitrophenyl)propan-2-ol (CAS 22357-57-9), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 2-(4-nitrophenyl)propan-2-ol.
Chemical Property Profile of 2-(4-Nitrophenyl)propan-2-ol
Property Insights of 2-(4-Nitrophenyl)propan-2-ol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)propan-2-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)propan-2-ol. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)propan-2-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 2-(4-Nitrophenyl)propan-2-ol?
The CAS number of 2-(4-Nitrophenyl)propan-2-ol is 22357-57-9.
What is the molecular formula of 2-(4-Nitrophenyl)propan-2-ol?
The molecular formula of 2-(4-Nitrophenyl)propan-2-ol is C9H11NO3.
What is the molecular weight of 2-(4-Nitrophenyl)propan-2-ol?
The molecular weight of 2-(4-Nitrophenyl)propan-2-ol is 181.07 g/mol.
Where can I buy 2-(4-Nitrophenyl)propan-2-ol?
You can request a quote for 2-(4-Nitrophenyl)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.