TL;DR: Benzaldehyde, 3-iodo-5-methoxy-4-(2-propenyloxy)- (CAS 106331-79-7) is a chemical compound with molecular formula C11H11IO3 and molecular weight 317.97528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iodo-5-methoxy-4-prop-2-enoxybenzaldehyde
Also Known As: 4-(allyloxy)-3-iodo-5-methoxybenzaldehyde, 3-iodo-5-methoxy-4-(prop-2-en-1-yloxy)benzaldehyde, Benzaldehyde, 3-iodo-5-methoxy-4-(2-propenyloxy)-, 3-iodo-5-methoxy-4-prop-2-enoxybenzaldehyde, 4-allyloxy-5-iodo-3-methoxybenzaldehyde
| Molecular Formula | C11H11IO3 |
| Molecular Weight | 317.97528 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.97528 Da |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
| SMILES | COC1=C(C(=CC(=C1)C=O)I)OCC=C |
| InChIKey | OVJZJVITAXJCFN-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, 3-iodo-5-methoxy-4-(2-propenyloxy)-. With a topological polar surface area (TPSA) of 35.5 Ų, Benzaldehyde, 3-iodo-5-methoxy-4-(2-propenyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 3-iodo-5-methoxy-4-(2-propenyloxy)- 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 Benzaldehyde, 3-iodo-5-methoxy-4-(2-propenyloxy)- is 106331-79-7.
The molecular formula of Benzaldehyde, 3-iodo-5-methoxy-4-(2-propenyloxy)- is C11H11IO3.
The molecular weight of Benzaldehyde, 3-iodo-5-methoxy-4-(2-propenyloxy)- is 317.97528 g/mol.
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