TL;DR: 4-(3-Chloropropoxy)-M-anisaldehyde (CAS 151719-92-5) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-chloropropoxy)-3-methoxybenzaldehyde
Also Known As: 4-(3-chloropropoxy)-3-methoxybenzaldehyde, Vanillin Impurity 12, 4-(3-chloropropoxy)-3-methoxy-benzaldehyde, 4-(3-CHLOROPROPOXY)-M-ANISALDEHYDE, 4(3-chloropropoxy)-3-methoxybenzaldehyde
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.05533 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.05533 Da |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
| SMILES | COC1=C(C=CC(=C1)C=O)OCCCCl |
| InChIKey | SPGULLHQDRWGDU-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chloropropoxy)-M-anisaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(3-Chloropropoxy)-M-anisaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloropropoxy)-M-anisaldehyde 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 4-(3-Chloropropoxy)-M-anisaldehyde is 151719-92-5.
The molecular formula of 4-(3-Chloropropoxy)-M-anisaldehyde is C11H13ClO3.
The molecular weight of 4-(3-Chloropropoxy)-M-anisaldehyde is 228.05533 g/mol.
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