Common name
4-(1-methoxy-2-methylpropan-2-yl)phenol
IUPAC name
4-(1-methoxy-2-methylpropan-2-yl)phenol
SMILES
O(CC(C)(C)c1ccc(O)cc1)C
Common name
4-(1-methoxy-2-methylpropan-2-yl)phenol
IUPAC name
4-(1-methoxy-2-methylpropan-2-yl)phenol
SMILES
O(CC(C)(C)c1ccc(O)cc1)C
INCHI
InChI=1S/C11H16O2/c1-11(2,8-13-3)9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3
FORMULA
C11H16O2
Common name
4-(1-methoxy-2-methylpropan-2-yl)phenol
IUPAC name
4-(1-methoxy-2-methylpropan-2-yl)phenol
Molecular weight
180.244
clogP
2.399
clogS
-2.571
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
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 |
|---|---|---|---|---|---|
| 1vjb_ligand_1_2.mol2 | 1vjb | 0.757576 | -7.11 | CCc1ccc(cc1)O | 9 |
| 2bj4_ligand_1_2.mol2 | 2bj4 | 0.757576 | -7.11 | c1(ccc(cc1)O)CC | 9 |
| 2p7z_ligand_1_2.mol2 | 2p7z | 0.757576 | -7.06 | CCc1ccc(cc1)O | 9 |
| 4i7f_ligand_3_80.mol2 | 4i7f | 0.757576 | -7.06 | CCc1ccc(cc1)O | 9 |
| 2iok_ligand_2_0.mol2 | 2iok | 0.757576 | -6.98 | C(c1ccc(cc1)O)C | 9 |
| 4y2t_ligand_3_4.mol2 | 4y2t | 0.757576 | -6.94 | Oc1ccc(CC)cc1 | 9 |
| 4m7b_ligand_2_5.mol2 | 4m7b | 0.757576 | -6.92 | CCc1ccc(cc1)O | 9 |
| 2fm0_ligand_3_50.mol2 | 2fm0 | 0.757576 | -6.90 | CCc1ccc(O)cc1 | 9 |
137 ,
14
