TL;DR: alpha,alpha,alpha',alpha',alpha'',alpha''-Hexamethylbenzene-1,3,5-trimethanol (CAS 19576-38-6) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol
Also Known As: KST-1B1467, 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol, alpha,alpha,alpha',alpha',alpha'',alpha''-Hexamethylbenzene-1,3,5-trimethanol, 2,2',2''-(benzene-1,3,5-triyl)tris(propan-2-ol), 1,3,5-benzenetrimethanol,
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.17255 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.17255 Da |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
| SMILES | CC(C)(C1=CC(=CC(=C1)C(C)(C)O)C(C)(C)O)O |
| InChIKey | FMCWGKXGRNQNLD-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha,alpha,alpha',alpha',alpha'',alpha''-Hexamethylbenzene-1,3,5-trimethanol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha,alpha,alpha',alpha',alpha'',alpha''-Hexamethylbenzene-1,3,5-trimethanol. Following Lipinski's Rule of Five, alpha,alpha,alpha',alpha',alpha'',alpha''-Hexamethylbenzene-1,3,5-trimethanol has 3 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 alpha,alpha,alpha',alpha',alpha'',alpha''-Hexamethylbenzene-1,3,5-trimethanol is 19576-38-6.
The molecular formula of alpha,alpha,alpha',alpha',alpha'',alpha''-Hexamethylbenzene-1,3,5-trimethanol is C15H24O3.
The molecular weight of alpha,alpha,alpha',alpha',alpha'',alpha''-Hexamethylbenzene-1,3,5-trimethanol is 252.17255 g/mol.
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