Common name
4-(1-hydroxy-2-methylpropan-2-yl)phenol
IUPAC name
4-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILES
OCC(C)(C)c1ccc(O)cc1
Common name
4-(1-hydroxy-2-methylpropan-2-yl)phenol
IUPAC name
4-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILES
OCC(C)(C)c1ccc(O)cc1
INCHI
InChI=1S/C10H14O2/c1-10(2,7-11)8-3-5-9(12)6-4-8/h3-6,11-12H,7H2,1-2H3
FORMULA
C10H14O2
Common name
4-(1-hydroxy-2-methylpropan-2-yl)phenol
IUPAC name
4-(1-hydroxy-2-methylpropan-2-yl)phenol
Molecular weight
166.217
clogP
1.884
clogS
-1.862
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
1
Rotatable Bond
2
| 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 | 1 | -6.49 | C(Cc1ccc(cc1)O)O | 10 |
| 1i7g_ligand_4_205.mol2 | 1i7g | 1 | -6.47 | OCCc1ccc(cc1)O | 10 |
| 1a2c_ligand_2_13.mol2 | 1a2c | 1 | -5.37 | c1(ccc(cc1)O)CCO | 10 |
| 4mga_ligand_2_2.mol2 | 4mga | 0.833333 | -7.76 | CC(c1ccc(cc1)O)(C)C | 11 |
| 2zas_ligand_1_0.mol2 | 2zas | 0.833333 | -7.74 | c1(ccc(cc1)C(C)C)O | 10 |
| 2e2r_ligand_1_0.mol2 | 2e2r | 0.833333 | -7.73 | C(C)(C)c1ccc(cc1)O | 10 |
| 2p7g_ligand_1_1.mol2 | 2p7g | 0.833333 | -7.72 | C(C)(C)c1ccc(cc1)O | 10 |
| 2e2r_ligand_1_1.mol2 | 2e2r | 0.833333 | -7.62 | c1(ccc(cc1)O)C(C)C | 10 |
| 2ra6_ligand.mol2 | 2ra6 | 0.833333 | -7.57 | CCc1ccc(cc1)O | 10 |
| 1ikt_ligand_3_11.mol2 | 1ikt | 0.833333 | -7.55 | Oc1ccc(cc1)C(C)(C)C | 11 |
135 ,
14
