TL;DR: Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)- (CAS 63428-98-8) is a chemical compound with molecular formula C22H30O and molecular weight 310.22968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-ditert-butyl-6-(1-phenylethyl)phenol
Also Known As: Ump dialdehyde, 2,4-di-tert-butyl-6-(1-phenylethyl)phenol, Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)-, AI3-70736, 2,4-ditert-butyl-6-(1-phenylethyl)phenol
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H30O |
| Molecular Weight | 310.22968 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.22968 Da |
| Heavy Atoms | 23 |
| Complexity | 366.0 |
| SMILES | CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O |
| InChIKey | XOVCWYXPFJNQLU-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)- is 63428-98-8.
The molecular formula of Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)- is C22H30O.
The molecular weight of Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)- is 310.22968 g/mol.
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