4-methyl-4-(2-oxidanyl-1-phenyl-ethoxy)pentan-2-one

Systemtic Name: 4-methyl-4-(2-oxidanyl-1-phenyl-ethoxy)pentan-2-one Openeye Name: 4-(2-hydroxy-1-phenyl-ethoxy)-4-methyl-pentan-2-one CAS Name: 4-(2-hydroxy-1-phenylethoxy)-4-methyl-2-pentanone IUPAC Name: 4-(2-hydroxy-1-phenylethoxy)-4-methylpentan-2-one Traditional Name: 4-(2-hydroxy-1-phenyl-ethoxy)-4-methyl-pentan-2-one Formula: C14H20O3 MolecularWeight: 236.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)OC(CO)C1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(C)(C)OC(CO)C1=CC=CC=C1

InChI

InChI=1S/C14H20O3/c1-11(16)9-14(2,3)17-13(10-15)12-7-5-4-6-8-12/h4-8,13,15H,9-10H2,1-3H3