(4-methylphenyl)methylphosphonic Acid
TL;DR: (4-methylphenyl)methylphosphonic Acid (CAS 13081-74-8) is a chemical compound with molecular formula C8H11O3P and molecular weight 186.04459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl)methylphosphonic acid
Also Known As: (4-methylphenyl)methylphosphonic Acid, (4-Methyl-benzyl)-phosphonic acid, (4-Methylbenzyl)phosphonic acid, p-Tolylmethylphosphonic acid, p-methylbenzylphosphonic acid
Technical Specifications
| Molecular Formula | C8H11O3P |
| Molecular Weight | 186.04459 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.04459 Da |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
| SMILES | CC1=CC=C(C=C1)CP(=O)(O)O |
| InChIKey | HIIOYVOBADMCAS-UHFFFAOYSA-N |
Chemical Property Profile of (4-methylphenyl)methylphosphonic Acid
Property Insights of (4-methylphenyl)methylphosphonic Acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-methylphenyl)methylphosphonic Acid. With a topological polar surface area (TPSA) of 57.5 Ų, (4-methylphenyl)methylphosphonic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-methylphenyl)methylphosphonic 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 (4-methylphenyl)methylphosphonic Acid?
The CAS number of (4-methylphenyl)methylphosphonic Acid is 13081-74-8.
What is the molecular formula of (4-methylphenyl)methylphosphonic Acid?
The molecular formula of (4-methylphenyl)methylphosphonic Acid is C8H11O3P.
What is the molecular weight of (4-methylphenyl)methylphosphonic Acid?
The molecular weight of (4-methylphenyl)methylphosphonic Acid is 186.04459 g/mol.
Where can I buy (4-methylphenyl)methylphosphonic Acid?
You can request a quote for (4-methylphenyl)methylphosphonic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-methylphenyl)methylphosphonic Acid?
Yes, CoreyChem provides custom synthesis services for (4-methylphenyl)methylphosphonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.