(E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
TL;DR: (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one (CAS 147722-96-1) is a chemical compound with molecular formula C18H15ClO4 and molecular weight 330.0659 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
Also Known As: (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one, (E)-3-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C18H15ClO4 |
| Molecular Weight | 330.0659 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.0659 Da |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC(=CC3=C2OCOC3)Cl |
| InChIKey | BQALBBHDRKCYAN-HWKANZROSA-N |
Chemical Property Profile of (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
Property Insights of (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
The XLogP value of 4.4 indicates that (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-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 55.8 Ų, (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 4 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)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
The CAS number of (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one is 147722-96-1.
What is the molecular formula of (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
The molecular formula of (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one is C18H15ClO4.
What is the molecular weight of (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
The molecular weight of (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one is 330.0659 g/mol.
Where can I buy (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
You can request a quote for (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.