TL;DR: 2H-1-Benzopyran, 3-acetyl-8-methoxy- (CAS 57543-54-1) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(8-methoxy-2H-chromen-3-yl)ethanone
Also Known As: 1-(8-methoxy-2H-chromen-3-yl)ethanone, 1-(8-methoxy-2H-chromen-3-yl)-1-ethanone, methoxychromenylethanone, 1-(8-methoxy-2H-chromen-3-yl)ethan-1-one, 1- -1-ETHANONE
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | CC(=O)C1=CC2=C(C(=CC=C2)OC)OC1 |
| InChIKey | WIKPKPNOYJJBLE-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran, 3-acetyl-8-methoxy-. With a topological polar surface area (TPSA) of 35.5 Ų, 2H-1-Benzopyran, 3-acetyl-8-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran, 3-acetyl-8-methoxy- 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 2H-1-Benzopyran, 3-acetyl-8-methoxy- is 57543-54-1.
The molecular formula of 2H-1-Benzopyran, 3-acetyl-8-methoxy- is C12H12O3.
The molecular weight of 2H-1-Benzopyran, 3-acetyl-8-methoxy- is 204.07864 g/mol.
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