2-Phenylpentan-3-one
TL;DR: 2-Phenylpentan-3-one (CAS 103130-62-7) is a chemical compound with molecular formula C11H14O and molecular weight 162.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylpentan-3-one
Also Known As: 2-phenylpentan-3-one, 2-Phenyl-3-Pentanone, 3-Pentanone, 2-phenyl-, (S)-2-phenyl-pentan-3-one, Ethyl(alpha-methylbenzyl) ketone
Technical Specifications
| Molecular Formula | C11H14O |
| Molecular Weight | 162.10446 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | CCC(=O)C(C)C1=CC=CC=C1 |
| InChIKey | UYXZZTGJCIWPJY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenylpentan-3-one
Property Insights of 2-Phenylpentan-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylpentan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Phenylpentan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylpentan-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 2-Phenylpentan-3-one?
The CAS number of 2-Phenylpentan-3-one is 103130-62-7.
What is the molecular formula of 2-Phenylpentan-3-one?
The molecular formula of 2-Phenylpentan-3-one is C11H14O.
What is the molecular weight of 2-Phenylpentan-3-one?
The molecular weight of 2-Phenylpentan-3-one is 162.10446 g/mol.
Where can I buy 2-Phenylpentan-3-one?
You can request a quote for 2-Phenylpentan-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylpentan-3-one?
Yes, CoreyChem provides custom synthesis services for 2-Phenylpentan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.