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 |
|---|---|---|---|---|---|
| 4lch_ligand_1_5.mol2 | 4lch | 0.861111 | -6.59 | CC(O)(C)c1ccc(cc1)O | 11 |
| 4fhh_ligand_3_1.mol2 | 4fhh | 0.815789 | -7.40 | Oc1ccc(cc1C)CCC | 11 |
| 4fhi_ligand_3_1.mol2 | 4fhi | 0.815789 | -7.39 | Oc1ccc(CCC)cc1C | 11 |
| 4fhh_ligand_3_2.mol2 | 4fhh | 0.815789 | -7.35 | C(C)Cc1cc(c(O)cc1)C | 11 |
190 ,
20
