2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone
TL;DR: 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone (CAS 159647-54-8) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone
Also Known As: IFLab1_000604, IDI1_008823, 2-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone, AE-848/12560025, 2-(benzo[d][1,3]dioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone
Technical Specifications
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.11542 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.11542 Da |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
| SMILES | CCCC1=CC(=C(C=C1O)O)C(=O)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | SOIFXIDUZIIFTO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone
Property Insights of 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone
The XLogP value of 4.2 indicates that 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone is 159647-54-8.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone is C18H18O5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone is 314.11542 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.