Molecule ID: 23082663

IUPAC Name: (5-chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

Description: The molecule is an aromatic ketone that is metrafenone in which the 3-bromo-6-methoxy-2-methylphenyl group is replaced by a 5-chloro-2-methoxy-4-methylpyridin-3-yl group. It is a fungicide developed for the control of powdery mildew in cereals and grape vines. It has a role as an antifungal agrochemical. It is an aromatic ketone, an aromatic ether, a chloropyridine and an aryl phenyl ketone fungicide.

SMILES: COc1cc(C)c(C(=O)c2c(OC)ncc(Cl)c2C)c(OC)c1OC

SELFIES: [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C]

InChI: InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3

Molecular Properties:
- Polar Surface Area: 66.9 Ų
- LogP: 3.8