1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one
TL;DR: 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one (CAS 103-13-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
Also Known As: Methoxystyryl isopropyl ketone, FEMA No. 3760, 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one, alpha,alpha-Dimethylanisalacetone, Isopropyl 4-methoxystyryl ketone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | CC(C)C(=O)C=CC1=CC=C(C=C1)OC |
| InChIKey | ZIXVMEYRFPMOAV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one
Property Insights of 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one
The XLogP value of 3.0 indicates that 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one has 0 hydrogen bond donor(s) and 2 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-Methoxyphenyl)-4-methylpent-1-en-3-one?
The CAS number of 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one is 103-13-9.
What is the molecular formula of 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one?
The molecular formula of 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one is C13H16O2.
What is the molecular weight of 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one?
The molecular weight of 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one is 204.11504 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one?
You can request a quote for 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.