Common name
(S)-4-(2-hydroxy-3-methylbutan-2-yl)phenol
IUPAC name
(S)-4-(2-hydroxy-3-methylbutan-2-yl)phenol
SMILES
c1(ccc(cc1)O)[C@](C)(C(C)C)O
Common name
(S)-4-(2-hydroxy-3-methylbutan-2-yl)phenol
IUPAC name
(S)-4-(2-hydroxy-3-methylbutan-2-yl)phenol
SMILES
c1(ccc(cc1)O)[C@](C)(C(C)C)O
INCHI
1S/C11H16O2/c1-8(2)11(3,13)9-4-6-10(12)7-5-9/h4-8,12-13H,1-3H3/t11-/m0/s1
FORMULA
C11H16O2
Common name
(S)-4-(2-hydroxy-3-methylbutan-2-yl)phenol
IUPAC name
(S)-4-(2-hydroxy-3-methylbutan-2-yl)phenol
Molecular weight
180.244
clogP
2.080
clogS
-1.899
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD03066 | ipfentrifluconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mga_ligand_2_2.mol2 | 4mga | 0.694444 | -7.76 | CC(c1ccc(cc1)O)(C)C | 11 |
| 2zas_ligand_1_0.mol2 | 2zas | 0.694444 | -7.74 | c1(ccc(cc1)C(C)C)O | 10 |
| 2e2r_ligand_1_0.mol2 | 2e2r | 0.694444 | -7.73 | C(C)(C)c1ccc(cc1)O | 10 |
| 2p7g_ligand_1_1.mol2 | 2p7g | 0.694444 | -7.72 | C(C)(C)c1ccc(cc1)O | 10 |
| 2e2r_ligand_1_1.mol2 | 2e2r | 0.694444 | -7.62 | c1(ccc(cc1)O)C(C)C | 10 |
| 2ra6_ligand.mol2 | 2ra6 | 0.694444 | -7.57 | CCc1ccc(cc1)O | 10 |
190 ,
20
