1-[3-chloranyl-4-(2,2-dimethyl-1-oxidanyl-propyl)phenyl]ethanone

Systemtic Name: 1-[3-chloranyl-4-(2,2-dimethyl-1-oxidanyl-propyl)phenyl]ethanone Openeye Name: 1-[3-chloro-4-(1-hydroxy-2,2-dimethyl-propyl)phenyl]ethanone CAS Name: 1-[3-chloro-4-(1-hydroxy-2,2-dimethylpropyl)phenyl]ethanone IUPAC Name: 1-[3-chloro-4-(1-hydroxy-2,2-dimethylpropyl)phenyl]ethanone Traditional Name: 1-[3-chloro-4-(1-hydroxy-2,2-dimethyl-propyl)phenyl]ethanone Formula: C13H17ClO2 MolecularWeight: 240.72588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)C(C(C)(C)C)O)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)C(C(C)(C)C)O)Cl

InChI

InChI=1S/C13H17ClO2/c1-8(15)9-5-6-10(11(14)7-9)12(16)13(2,3)4/h5-7,12,16H,1-4H3