1-(2,5-Dimethylphenyl)but-2-en-1-one
TL;DR: 1-(2,5-Dimethylphenyl)but-2-en-1-one (CAS 15561-15-6) is a chemical compound with molecular formula C12H14O and molecular weight 174.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5-dimethylphenyl)but-2-en-1-one
Also Known As: 1-(2,5-Dimethylphenyl)but-2-en-1-one, Crotonophenone, 2',5'-dimethyl-, 1-(2,5-Dimethylphenyl)-2-buten-1-one, 1-(2,5-Dimethyl-phenyl)-but-2-en-1-one
Technical Specifications
| Molecular Formula | C12H14O |
| Molecular Weight | 174.10446 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.10446 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | CC=CC(=O)C1=C(C=CC(=C1)C)C |
| InChIKey | QQXCFWMNVWQGQX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,5-Dimethylphenyl)but-2-en-1-one
Property Insights of 1-(2,5-Dimethylphenyl)but-2-en-1-one
The XLogP value of 3.2 indicates that 1-(2,5-Dimethylphenyl)but-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,5-Dimethylphenyl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Dimethylphenyl)but-2-en-1-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-(2,5-Dimethylphenyl)but-2-en-1-one?
The CAS number of 1-(2,5-Dimethylphenyl)but-2-en-1-one is 15561-15-6.
What is the molecular formula of 1-(2,5-Dimethylphenyl)but-2-en-1-one?
The molecular formula of 1-(2,5-Dimethylphenyl)but-2-en-1-one is C12H14O.
What is the molecular weight of 1-(2,5-Dimethylphenyl)but-2-en-1-one?
The molecular weight of 1-(2,5-Dimethylphenyl)but-2-en-1-one is 174.10446 g/mol.
Where can I buy 1-(2,5-Dimethylphenyl)but-2-en-1-one?
You can request a quote for 1-(2,5-Dimethylphenyl)but-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,5-Dimethylphenyl)but-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(2,5-Dimethylphenyl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.