1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione
TL;DR: 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione (CAS 104516-35-0) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxy-5-methylphenyl)pentane-1,3-dione
Also Known As: 1-(2-HYDROXY-5-METHYLPHENYL)-1,3-PENTANEDIONE, 1-(2-hydroxy-5-methylphenyl)pentane-1,3-dione, 1-(2-hydroxy-5-methyl-phenyl)pentane-1,3-dione, 635-697-6
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CCC(=O)CC(=O)C1=C(C=CC(=C1)C)O |
| InChIKey | ZRNWZWSIKPXODY-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione
Property Insights of 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione. With a topological polar surface area (TPSA) of 54.4 Ų, 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione 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
What is the CAS number of 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione?
The CAS number of 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione is 104516-35-0.
What is the molecular formula of 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione?
The molecular formula of 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione is C12H14O3.
What is the molecular weight of 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione?
The molecular weight of 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione is 206.0943 g/mol.
Where can I buy 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione?
You can request a quote for 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione?
Yes, CoreyChem provides custom synthesis services for 1-(2-Hydroxy-5-methylphenyl)-1,3-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.