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 |
|---|---|---|---|---|---|
| 1i7i_ligand_4_205.mol2 | 1i7i | 0.909091 | -6.49 | C(Cc1ccc(cc1)O)O | 10 |
| 1i7g_ligand_4_205.mol2 | 1i7g | 0.909091 | -6.47 | OCCc1ccc(cc1)O | 10 |
| 1a2c_ligand_2_13.mol2 | 1a2c | 0.909091 | -5.37 | c1(ccc(cc1)O)CCO | 10 |
| 4mga_ligand_2_2.mol2 | 4mga | 0.757576 | -7.76 | CC(c1ccc(cc1)O)(C)C | 11 |
| 2zas_ligand_1_0.mol2 | 2zas | 0.757576 | -7.74 | c1(ccc(cc1)C(C)C)O | 10 |
| 2e2r_ligand_1_0.mol2 | 2e2r | 0.757576 | -7.73 | C(C)(C)c1ccc(cc1)O | 10 |
| 2p7g_ligand_1_1.mol2 | 2p7g | 0.757576 | -7.72 | C(C)(C)c1ccc(cc1)O | 10 |
| 2e2r_ligand_1_1.mol2 | 2e2r | 0.757576 | -7.62 | c1(ccc(cc1)O)C(C)C | 10 |
137 ,
14
