(E)-4-(3-Methylphenyl)-but-3-en-2-one
TL;DR: (E)-4-(3-Methylphenyl)-but-3-en-2-one (CAS 15753-84-1) is a chemical compound with molecular formula C11H12O and molecular weight 160.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(3-methylphenyl)but-3-en-2-one
Also Known As: 3-METHYLBENZALACETONE, (e)-4-(m-tolyl)but-3-en-2-one, 4-m-Tolyl-3-buten-2-one, 4-(m-Tolyl)but-3-en-2-one, (E)-4-(3-Methylphenyl)-but-3-en-2-one
Technical Specifications
| Molecular Formula | C11H12O |
| Molecular Weight | 160.08882 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.08882 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CC1=CC(=CC=C1)/C=C/C(=O)C |
| InChIKey | MMKNUEPXVVBSGX-VOTSOKGWSA-N |
Chemical Property Profile of (E)-4-(3-Methylphenyl)-but-3-en-2-one
Property Insights of (E)-4-(3-Methylphenyl)-but-3-en-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(3-Methylphenyl)-but-3-en-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, (E)-4-(3-Methylphenyl)-but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(3-Methylphenyl)-but-3-en-2-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 (E)-4-(3-Methylphenyl)-but-3-en-2-one?
The CAS number of (E)-4-(3-Methylphenyl)-but-3-en-2-one is 15753-84-1.
What is the molecular formula of (E)-4-(3-Methylphenyl)-but-3-en-2-one?
The molecular formula of (E)-4-(3-Methylphenyl)-but-3-en-2-one is C11H12O.
What is the molecular weight of (E)-4-(3-Methylphenyl)-but-3-en-2-one?
The molecular weight of (E)-4-(3-Methylphenyl)-but-3-en-2-one is 160.08882 g/mol.
Where can I buy (E)-4-(3-Methylphenyl)-but-3-en-2-one?
You can request a quote for (E)-4-(3-Methylphenyl)-but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-(3-Methylphenyl)-but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for (E)-4-(3-Methylphenyl)-but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.