1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]propan-1-one

Systemtic Name: 1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]propan-1-one Openeye Name: 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]propan-1-one CAS Name: 1-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1-propanone IUPAC Name: 1-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]propan-1-one Traditional Name: 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]propan-1-one Formula: C14H16O2 MolecularWeight: 216.27564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)C#CC(C)(C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)C#CC(C)(C)O

InChI

InChI=1S/C14H16O2/c1-4-13(15)12-7-5-11(6-8-12)9-10-14(2,3)16/h5-8,16H,4H2,1-3H3