TL;DR: 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)- (CAS 62427-71-8) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-enal
Also Known As: 3'-Methoxy-4'-(methoxymethoxy)cinnamaldehyde, 3-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-enal, 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.0892 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 Da |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| SMILES | COCOC1=C(C=C(C=C1)C=CC=O)OC |
| InChIKey | DSMOYXWZPJLKEI-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)-. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)- is 62427-71-8.
The molecular formula of 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)- is C12H14O4.
The molecular weight of 2-Propenal, 3-[3-methoxy-4-(methoxymethoxy)phenyl]-, (E)- is 222.0892 g/mol.
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