TL;DR: 2,4-Di-tert-butyl-6-(1-(4-methoxyphenyl)ethyl)phenol, 4b (CAS 71712-04-4) is a chemical compound with molecular formula C23H32O2 and molecular weight 340.24023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-ditert-butyl-6-[1-(4-methoxyphenyl)ethyl]phenol
Also Known As: AI3-53029, 4,6-Di-t-butyl-2-(alpha-methyl-4-methoxybenzyl)phenol, 2,4-ditert-butyl-6-[1-(4-methoxyphenyl)ethyl]phenol, 2,4-Bis(1,1-dimethylethyl)-6-(1-(4-methoxyphenyl)ethyl)phenol, Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-(4-methoxyphenyl)ethyl)-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C23H32O2 |
| Molecular Weight | 340.24023 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.24023 Da |
| Heavy Atoms | 25 |
| Complexity | 409.0 |
| SMILES | CC(C1=CC=C(C=C1)OC)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O |
| InChIKey | DXVHRQUDMSBFHD-UHFFFAOYSA-N |
The XLogP value of 7.1 indicates that 2,4-Di-tert-butyl-6-(1-(4-methoxyphenyl)ethyl)phenol, 4b is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2,4-Di-tert-butyl-6-(1-(4-methoxyphenyl)ethyl)phenol, 4b exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Di-tert-butyl-6-(1-(4-methoxyphenyl)ethyl)phenol, 4b has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4-Di-tert-butyl-6-(1-(4-methoxyphenyl)ethyl)phenol, 4b is 71712-04-4.
The molecular formula of 2,4-Di-tert-butyl-6-(1-(4-methoxyphenyl)ethyl)phenol, 4b is C23H32O2.
The molecular weight of 2,4-Di-tert-butyl-6-(1-(4-methoxyphenyl)ethyl)phenol, 4b is 340.24023 g/mol.
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