4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid
TL;DR: 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid (CAS 107491-54-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid
Also Known As: 4- -4-oxo-butanoicacid, 4-(2-hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid, Benzenebutanoic acid,2-hydroxy-3,5-dimethyl-g-oxo-, 4-(2-HYDROXY-3,5-DIMETHYL-PHENYL)-4-OXO-BUTANOIC ACID
Technical Specifications
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.0892 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 Da |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
| SMILES | CC1=CC(=C(C(=C1)C(=O)CCC(=O)O)O)C |
| InChIKey | FHTYKPNKGIBLRU-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid
Property Insights of 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 4 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-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid?
The CAS number of 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid is 107491-54-3.
What is the molecular formula of 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid?
The molecular formula of 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid is C12H14O4.
What is the molecular weight of 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid?
The molecular weight of 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid is 222.0892 g/mol.
Where can I buy 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid?
You can request a quote for 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.