2-(4-(1-Methylpropyl)phenyl)propanoic acid
2-(4-butan-2-ylphenyl)propanoic acid
Also Known As: Ibuprofen EP Impurity O|2-(p-sec-Butylphenyl)propionic Acid|Ibuprofen Impurity O|2-(4-(1-Methylpropyl)phenyl)propanoic acid|Ibuprofen BP Impurity O|Ibuprofen impurity O [EP]|Hydratropic acid, p-sec-butyl-|2-(4-butan-2-ylphenyl)propanoic acid|2-[4-(1-Methylpropyl)phenyl]propanoic Acid|2-(4-(sec-Butyl)phenyl)propanoic acid|2-[4-(butan-2-yl)phenyl]propanoic acid|2-(4-Sec-butylphenyl)propanoic acid|IBUPROFEN IMPURITY O [EP IMPURITY]|2-(4-Sec-butylphenyl)propanoic acid #|2-(4-(But-2-yl)phenyl)propanoic acid|IBUPROFEN IMPURITY O (EP IMPURITY)|2-[4-(1-Methylpropyl)-phenyl]propanoic Acid|IBUPROFEN IMPURITY O (REFERENCE GRADE)|(+/-)-2-(4-(1-Methylpropyl)phenyl)propanoic acid|Benzeneacetic acid, alpha-methyl-4-(1-methylpropyl)-|BENZENEACETIC ACID, .ALPHA.-METHYL-4-(1-METHYLPROPYL)-|(+-)-2-(4-(1-METHYLPROPYL)PHENYL)PROPANOIC ACID|2-[4-(1-Methylpropyl)-phenyl]propanoic Acid; Ibuprofen Imp. O (EP); Ibuprofen Impurity O
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13068 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Monoisotopic Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 64451-76-9 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C(C)C(=O)O |
| InChIKey | OWMZINYEXURWLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-(1-Methylpropyl)phenyl)propanoic acid (CAS 64451-76-9), with molecular formula C13H18O2 and molecular weight 206.13068 g/mol. IUPAC: 2-(4-butan-2-ylphenyl)propanoic acid.