TL;DR: (2S)-2-(methoxymethyl)pyrrolidinyl 2-methoxyphenyl ketone (CAS 102069-84-1) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
Also Known As: 1-(2-Methoxybenzoyl)-2-(methoxymethyl)pyrrolidine, (2S)-2-(methoxymethyl)pyrrolidinyl 2-methoxyphenyl ketone, [2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone, [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone, Methanone,[(2S)-2-(methoxymethyl)-1-pyrrolidinyl](2-methoxyphenyl)-
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.13649 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.13649 Da |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
| SMILES | COCC1CCCN1C(=O)C2=CC=CC=C2OC |
| InChIKey | CECTWDBFDAJIEO-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(methoxymethyl)pyrrolidinyl 2-methoxyphenyl ketone. With a topological polar surface area (TPSA) of 38.8 Ų, (2S)-2-(methoxymethyl)pyrrolidinyl 2-methoxyphenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(methoxymethyl)pyrrolidinyl 2-methoxyphenyl ketone 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 (2S)-2-(methoxymethyl)pyrrolidinyl 2-methoxyphenyl ketone is 102069-84-1.
The molecular formula of (2S)-2-(methoxymethyl)pyrrolidinyl 2-methoxyphenyl ketone is C14H19NO3.
The molecular weight of (2S)-2-(methoxymethyl)pyrrolidinyl 2-methoxyphenyl ketone is 249.13649 g/mol.
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