Common name
(1-methoxy-2-methylpropan-2-yl)benzene
IUPAC name
(1-methoxy-2-methylpropan-2-yl)benzene
SMILES
O(CC(C)(C)c1ccccc1)C
Common name
(1-methoxy-2-methylpropan-2-yl)benzene
IUPAC name
(1-methoxy-2-methylpropan-2-yl)benzene
SMILES
O(CC(C)(C)c1ccccc1)C
INCHI
InChI=1S/C11H16O/c1-11(2,9-12-3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
FORMULA
C11H16O
Common name
(1-methoxy-2-methylpropan-2-yl)benzene
IUPAC name
(1-methoxy-2-methylpropan-2-yl)benzene
Molecular weight
164.244
clogP
2.877
clogS
-2.986
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02304 | etofenprox |
|
Insecticide | Insecticide |
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jq7_ligand_2_12.mol2 | 4jq7 | 0.884615 | -6.71 | C(CO)c1ccccc1 | 9 |
| 4jq8_ligand_2_44.mol2 | 4jq8 | 0.884615 | -6.69 | C(O)Cc1ccccc1 | 9 |
| 4jrv_ligand_2_54.mol2 | 4jrv | 0.884615 | -6.69 | C(O)Cc1ccccc1 | 9 |
| 4jr3_ligand_2_20.mol2 | 4jr3 | 0.884615 | -6.64 | c1(ccccc1)CCO | 9 |
| 4ciy_ligand_2_0.mol2 | 4ciy | 0.884615 | -6.63 | C(c1ccccc1)CO | 9 |
| 4w4s_ligand_1_1.mol2 | 4w4s | 0.884615 | -6.55 | c1cc(ccc1)CCO | 9 |
| 1i7i_ligand_3_110.mol2 | 1i7i | 0.884615 | -6.54 | C(Cc1ccccc1)O | 9 |
109 ,
11
