TL;DR: Ethanone, 1-[2-(acetyloxy)-1-naphthalenyl]- (CAS 129812-35-7) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-acetylnaphthalen-2-yl) acetate
Also Known As: 1-Acetyl-2-naphthyl acetate, 1-ACETYLNAPHTHALEN-2-YL ACETATE, (1-acetylnaphthalen-2-yl) acetate, 1-Acetyl-2-naphthyl acetate #, Ethanone, 1-[2-(acetyloxy)-1-naphthalenyl]-
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.07864 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 Da |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
| SMILES | CC(=O)C1=C(C=CC2=CC=CC=C21)OC(=O)C |
| InChIKey | XMSGQSPGLLJKPQ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-[2-(acetyloxy)-1-naphthalenyl]-. With a topological polar surface area (TPSA) of 43.4 Ų, Ethanone, 1-[2-(acetyloxy)-1-naphthalenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-[2-(acetyloxy)-1-naphthalenyl]- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 1-[2-(acetyloxy)-1-naphthalenyl]- is 129812-35-7.
The molecular formula of Ethanone, 1-[2-(acetyloxy)-1-naphthalenyl]- is C14H12O3.
The molecular weight of Ethanone, 1-[2-(acetyloxy)-1-naphthalenyl]- is 228.07864 g/mol.
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