Responsive image

Common name

malonoben

IUPAC name

2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile

SMILES

CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C

Compound class

Insecticide

Therapeutic area

Insecticide

Common name

malonoben

IUPAC name

2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile

SMILES

CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C

INCHI

InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3

FORMULA

C18H22N2O

Responsive image

Common name

malonoben

IUPAC name

2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile

Molecular weight

282.380

clogP

4.305

clogS

-4.199

HBond Acceptor

3

HBond Donor

1

Total Polar
Surface Area

67.81

Number of Rings

1

Rotatable Bond

5

Drug ID Common name Structure CAS SMILE Frequency
FDBF00006 phenol Responsive image c1ccc(cc1)O 0.0897
FDBF00012 isobutane Responsive image C(C)(C)C 0.0611
FDBF03084 2-tert-butylphenol Responsive image c1(c(cccc1)O)C(C)(C)C 0.0010
FDBF05229 2-methylidenepropanedinitrile Responsive image C=C(C#N)C#N 0.0003
4 , 1