2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone
TL;DR: 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone (CAS 115055-18-0) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
Also Known As: J1.557.878E, 2-Hydroxy-1-(4-isopropenylphenyl)-2-methyl-1-propanone, 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethenyl)phenyl]-, 2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one, 2-Hydroxy-2-methyl-1-(4-isopropenylphenyl)-1-propanone
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
| SMILES | CC(=C)C1=CC=C(C=C1)C(=O)C(C)(C)O |
| InChIKey | IJBSPUKPEDBNKQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone
Property Insights of 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone has 1 hydrogen bond donor(s) and 2 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-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone?
The CAS number of 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone is 115055-18-0.
What is the molecular formula of 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone?
The molecular formula of 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone is C13H16O2.
What is the molecular weight of 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone?
The molecular weight of 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone is 204.11504 g/mol.
Where can I buy 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone?
You can request a quote for 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-2-methyl-1-(4-(1-methylethenyl)phenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.