TL;DR: Benzaldehyde, 4-(2-hydroxyethoxy)- (CAS 22042-73-5) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-hydroxyethoxy)benzaldehyde
Also Known As: 4-(2-hydroxyethoxy)benzaldehyde, Benzaldehyde, 4-(2-hydroxyethoxy)-, 4-(2-Hydroxy-ethoxy)-benzaldehyde, 4-hydroxyethoxybenzaldehyde, 4-hydroxyethoxy benzaldehyde
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.06299 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.06299 Da |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
| SMILES | C1=CC(=CC=C1C=O)OCCO |
| InChIKey | VCDGTEZSUNFOKA-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, 4-(2-hydroxyethoxy)-. With a topological polar surface area (TPSA) of 46.5 Ų, Benzaldehyde, 4-(2-hydroxyethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 4-(2-hydroxyethoxy)- has 1 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, 4-(2-hydroxyethoxy)- is 22042-73-5.
The molecular formula of Benzaldehyde, 4-(2-hydroxyethoxy)- is C9H10O3.
The molecular weight of Benzaldehyde, 4-(2-hydroxyethoxy)- is 166.06299 g/mol.
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