TL;DR: 7-(allyloxy)-8-iodo-3,4-dimethyl-2H-chromen-2-one (CAS 122249-09-6) is a chemical compound with molecular formula C14H13IO3 and molecular weight 355.99094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-iodo-3,4-dimethyl-7-prop-2-enoxychromen-2-one
Also Known As: 7-(allyloxy)-8-iodo-3,4-dimethyl-2H-chromen-2-one, 8-iodo-3,4-dimethyl-7-prop-2-enoxychromen-2-one, 7-allyloxy-3,4-dimethyl-8-iodo-2H-1-benzopyran-2-one, 8-iodo-3,4-dimethyl-7-(prop-2-en-1-yloxy)-2H-chromen-2-one
| Molecular Formula | C14H13IO3 |
| Molecular Weight | 355.99094 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.99094 Da |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2I)OCC=C)C |
| InChIKey | ORUOQPFIRCTKTB-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 7-(allyloxy)-8-iodo-3,4-dimethyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 7-(allyloxy)-8-iodo-3,4-dimethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(allyloxy)-8-iodo-3,4-dimethyl-2H-chromen-2-one 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 7-(allyloxy)-8-iodo-3,4-dimethyl-2H-chromen-2-one is 122249-09-6.
The molecular formula of 7-(allyloxy)-8-iodo-3,4-dimethyl-2H-chromen-2-one is C14H13IO3.
The molecular weight of 7-(allyloxy)-8-iodo-3,4-dimethyl-2H-chromen-2-one is 355.99094 g/mol.
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