2-Isopropylphenylphosphonic acid
TL;DR: 2-Isopropylphenylphosphonic acid (CAS 111192-82-6) is a chemical compound with molecular formula C9H13O3P and molecular weight 200.06023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-propan-2-ylphenyl)phosphonic acid
Also Known As: 2-Isopropylphenylphosphonic acid, (2-isopropylphenyl)phosphonic acid, (2-propan-2-ylphenyl)phosphonic Acid, [2-(propan-2-yl)phenyl]phosphonic acid, J1.418.171G
Technical Specifications
| Molecular Formula | C9H13O3P |
| Molecular Weight | 200.06023 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06023 Da |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
| SMILES | CC(C)C1=CC=CC=C1P(=O)(O)O |
| InChIKey | OLNXBQUOWIYBEV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isopropylphenylphosphonic acid
Property Insights of 2-Isopropylphenylphosphonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropylphenylphosphonic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 2-Isopropylphenylphosphonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropylphenylphosphonic acid has 2 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 2-Isopropylphenylphosphonic acid?
The CAS number of 2-Isopropylphenylphosphonic acid is 111192-82-6.
What is the molecular formula of 2-Isopropylphenylphosphonic acid?
The molecular formula of 2-Isopropylphenylphosphonic acid is C9H13O3P.
What is the molecular weight of 2-Isopropylphenylphosphonic acid?
The molecular weight of 2-Isopropylphenylphosphonic acid is 200.06023 g/mol.
Where can I buy 2-Isopropylphenylphosphonic acid?
You can request a quote for 2-Isopropylphenylphosphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isopropylphenylphosphonic acid?
Yes, CoreyChem provides custom synthesis services for 2-Isopropylphenylphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.