![1-[3-(1H-pyrrol-1-yl)phenyl]ethanone structure](/static/products/1545/154559-69-0.webp)
1-[3-(1H-pyrrol-1-yl)phenyl]ethanone
TL;DR: 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone (CAS 154559-69-0) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-pyrrol-1-ylphenyl)ethanone
Also Known As: 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone, 1-(3-pyrrol-1-ylphenyl)ethanone, 1-acetyl-3-pyrrolylbenzene, 1-(3-(1H-Pyrrol-1-yl)phenyl)ethanone, 1-(3-pyrrole-1-phenyl)ethanone
Technical Specifications
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.08406 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08406 Da |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
| SMILES | CC(=O)C1=CC(=CC=C1)N2C=CC=C2 |
| InChIKey | YCPWTIWLOFQEJJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone
Property Insights of 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone. With a topological polar surface area (TPSA) of 22.0 Ų, 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone 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 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone?
The CAS number of 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone is 154559-69-0.
What is the molecular formula of 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone?
The molecular formula of 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone is C12H11NO.
What is the molecular weight of 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone?
The molecular weight of 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone is 185.08406 g/mol.
Where can I buy 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone?
You can request a quote for 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone?
Yes, CoreyChem provides custom synthesis services for 1-[3-(1H-pyrrol-1-yl)phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.