TL;DR: Phenoxyethyl propionate (CAS 23495-12-7) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenoxyethyl propanoate
Also Known As: Phenoxyethyl propionate, 2-Phenoxyethyl propionate, 2-phenoxyethyl propanoate, Ethanol, 2-phenoxy-, propanoate, Ethanol, propanoate
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
| SMILES | CCC(=O)OCCOC1=CC=CC=C1 |
| InChIKey | FKTSMIXZGPUSJB-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenoxyethyl propionate. With a topological polar surface area (TPSA) of 35.5 Ų, Phenoxyethyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenoxyethyl propionate 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 Phenoxyethyl propionate is 23495-12-7.
The molecular formula of Phenoxyethyl propionate is C11H14O3.
The molecular weight of Phenoxyethyl propionate is 194.0943 g/mol.
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