4-(3,4-Dimethoxyphenyl)but-3-en-2-one
TL;DR: 4-(3,4-Dimethoxyphenyl)but-3-en-2-one (CAS 15001-27-1) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,4-dimethoxyphenyl)but-3-en-2-one
Also Known As: Veratral-acetone, 4-(3,4-dimethoxyphenyl)but-3-en-2-one, 3,4-dimethoxybenzalacetone, NCIOpen2_006305, 4-(3,4-Dimethoxyphenyl)-3-buten-2-one
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
| SMILES | CC(=O)C=CC1=CC(=C(C=C1)OC)OC |
| InChIKey | XUYBNDHXZMIALN-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3,4-Dimethoxyphenyl)but-3-en-2-one
Property Insights of 4-(3,4-Dimethoxyphenyl)but-3-en-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethoxyphenyl)but-3-en-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(3,4-Dimethoxyphenyl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxyphenyl)but-3-en-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3,4-Dimethoxyphenyl)but-3-en-2-one?
The CAS number of 4-(3,4-Dimethoxyphenyl)but-3-en-2-one is 15001-27-1.
What is the molecular formula of 4-(3,4-Dimethoxyphenyl)but-3-en-2-one?
The molecular formula of 4-(3,4-Dimethoxyphenyl)but-3-en-2-one is C12H14O3.
What is the molecular weight of 4-(3,4-Dimethoxyphenyl)but-3-en-2-one?
The molecular weight of 4-(3,4-Dimethoxyphenyl)but-3-en-2-one is 206.0943 g/mol.
Where can I buy 4-(3,4-Dimethoxyphenyl)but-3-en-2-one?
You can request a quote for 4-(3,4-Dimethoxyphenyl)but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,4-Dimethoxyphenyl)but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(3,4-Dimethoxyphenyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.