TL;DR: (1,1'-Biphenyl)-3-carboxylic acid, 4'-(1,1-dimethylethyl)-4-hydroxy- (CAS 142556-92-1) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-tert-butylphenyl)-2-hydroxybenzoic acid
Also Known As: 4'-Tert-butyl-4-hydroxy[1,1'-biphenyl]-3-carboxylic acid, 5-(4-tert-butylphenyl)-2-hydroxybenzoic acid, BB 0223796, 2-hydroxy-5-(4-tert-butylphenyl)benzoic Acid, (1,1'-Biphenyl)-3-carboxylic acid, 4'-(1,1-dimethylethyl)-4-hydroxy-
| Molecular Formula | C17H18O3 |
| Molecular Weight | 270.12558 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.12558 Da |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)O)C(=O)O |
| InChIKey | SQUDVVTWFHBXIB-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that (1,1'-Biphenyl)-3-carboxylic acid, 4'-(1,1-dimethylethyl)-4-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, (1,1'-Biphenyl)-3-carboxylic acid, 4'-(1,1-dimethylethyl)-4-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-3-carboxylic acid, 4'-(1,1-dimethylethyl)-4-hydroxy- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1,1'-Biphenyl)-3-carboxylic acid, 4'-(1,1-dimethylethyl)-4-hydroxy- is 142556-92-1.
The molecular formula of (1,1'-Biphenyl)-3-carboxylic acid, 4'-(1,1-dimethylethyl)-4-hydroxy- is C17H18O3.
The molecular weight of (1,1'-Biphenyl)-3-carboxylic acid, 4'-(1,1-dimethylethyl)-4-hydroxy- is 270.12558 g/mol.
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