TL;DR: 2-Hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione (CAS 145046-40-8) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione
Also Known As: 2-(1-Methyl-2-methylenebutyl)-2-hydroxyindan-1,3-dione, 2-hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione, 2-hydroxy-2-(3-methylenepentan-2-yl)-1H-indene-1,3(2H)-dione, 2-hydroxy-2-(3-methylidenepentan-2-yl)-2,3-dihydro-1H-indene-1,3-dione
| Molecular Formula | C15H16O3 |
| Molecular Weight | 244.10994 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.10994 Da |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
| SMILES | CCC(=C)C(C)C1(C(=O)C2=CC=CC=C2C1=O)O |
| InChIKey | OKFKLZKRRYLWSR-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-Hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione 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 2-Hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione is 145046-40-8.
The molecular formula of 2-Hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione is C15H16O3.
The molecular weight of 2-Hydroxy-2-(3-methylidenepentan-2-yl)indene-1,3-dione is 244.10994 g/mol.
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