TL;DR: 1-(6-Hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone (CAS 140172-82-3) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone
Also Known As: 1-(6-hydroxyacenaphthen-5-yl)ethanone, 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone, AE-907/30535009, 1-(6-hydroxy-1,2-dihydro-5-acenaphthylenyl)ethanone, 1-(6-hydroxy-1,2-dihydroacenaphthylen-5-yl)ethan-1-one
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.08372 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.08372 Da |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
| SMILES | CC(=O)C1=C2C(=CC=C3C2=C(CC3)C=C1)O |
| InChIKey | WKQXQXDJRLCOTQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(6-Hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6-Hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(6-Hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone is 140172-82-3.
The molecular formula of 1-(6-Hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone is C14H12O2.
The molecular weight of 1-(6-Hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone is 212.08372 g/mol.
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