Methyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate
methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate
Also Known As: methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate|Maybridge3_003926|methyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate|CBDivE_015193|4-(3-Hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester|AB2907|Methyl (methylsulfinyl)methyl sulfide|IDI1_015313|Benzoic acid, 4-(3-hydroxy-3-methyl-1-butynyl)-, methyl ester|Methyl 4-(3-hydroxy-3-methyl-1-butynyl)benzoate|Methyl 4-(3-hydroxy-3-methyl-1-butynyl)benzoate #|methyl 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoate|methyl4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate|BRD-K88233726-001-01-8|4-(3-Hydroxy-3-methylbut-1-ynyl)benzoicacidmethylester|4-(3-Hydroxy-3-methyl-1-butynyl)benzoic acid methyl ester|Benzoic acid,4-(3-hydroxy-3-methyl-1-butyn-1-yl)-, methyl ester|4-(3-Hydroxy-3-methyl but-1-ynyl)benzoic acid methyl ester
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.0943 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0943 |
| Monoisotopic Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 33577-98-9 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C(=O)OC)O |
| InChIKey | HPQVSXSPVIQMCE-UHFFFAOYSA-N |
Product Overview
Methyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate (CAS 33577-98-9), with molecular formula C13H14O3 and molecular weight 218.0943 g/mol. IUPAC: methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate.