1-(4-Methylphenyl)pentan-3-one
TL;DR: 1-(4-Methylphenyl)pentan-3-one (CAS 100765-46-6) is a chemical compound with molecular formula C12H16O and molecular weight 176.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)pentan-3-one
Also Known As: 1-(4-methylphenyl)pentan-3-one, 1-(p-Methylphenyl)pentan-3-one, Ethyl(p-methylphenethyl) ketone, 1-(4-Methylphenyl)-3-pentanone, J2.597.951F
Technical Specifications
| Molecular Formula | C12H16O |
| Molecular Weight | 176.12012 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 Da |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
| SMILES | CCC(=O)CCC1=CC=C(C=C1)C |
| InChIKey | KJHTXBFFCBBQCO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Methylphenyl)pentan-3-one
Property Insights of 1-(4-Methylphenyl)pentan-3-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)pentan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Methylphenyl)pentan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)pentan-3-one has 0 hydrogen bond donor(s) and 1 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-(4-Methylphenyl)pentan-3-one?
The CAS number of 1-(4-Methylphenyl)pentan-3-one is 100765-46-6.
What is the molecular formula of 1-(4-Methylphenyl)pentan-3-one?
The molecular formula of 1-(4-Methylphenyl)pentan-3-one is C12H16O.
What is the molecular weight of 1-(4-Methylphenyl)pentan-3-one?
The molecular weight of 1-(4-Methylphenyl)pentan-3-one is 176.12012 g/mol.
Where can I buy 1-(4-Methylphenyl)pentan-3-one?
You can request a quote for 1-(4-Methylphenyl)pentan-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Methylphenyl)pentan-3-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Methylphenyl)pentan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.