TL;DR: 2-Methoxy-6-propylcyclohexa-2,5-diene-1,4-dione (CAS 15477-00-6) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-6-propylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2-Methoxy-6-propyl-p-benzoquinone, p-Benzoquinone, 2-methoxy-6-propyl-, 2-methoxy-6-propylcyclohexa-2,5-diene-1,4-dione, 2-methoxy-6-propyl-1,4-benzoquinone, 2-Propyl-6-methoxy-2,5-cyclohexadiene-1,4-dione
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
| SMILES | CCCC1=CC(=O)C=C(C1=O)OC |
| InChIKey | LDSWZTLIQOJYJT-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-6-propylcyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methoxy-6-propylcyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-6-propylcyclohexa-2,5-diene-1,4-dione 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 2-Methoxy-6-propylcyclohexa-2,5-diene-1,4-dione is 15477-00-6.
The molecular formula of 2-Methoxy-6-propylcyclohexa-2,5-diene-1,4-dione is C10H12O3.
The molecular weight of 2-Methoxy-6-propylcyclohexa-2,5-diene-1,4-dione is 180.07864 g/mol.
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