Common name
(3-phenoxyphenyl)methanol
IUPAC name
(3-phenoxyphenyl)methanol
SMILES
OCc1cc(ccc1)Oc1ccccc1
Common name
(3-phenoxyphenyl)methanol
IUPAC name
(3-phenoxyphenyl)methanol
SMILES
OCc1cc(ccc1)Oc1ccccc1
INCHI
InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2
FORMULA
C13H12O2
Common name
(3-phenoxyphenyl)methanol
IUPAC name
(3-phenoxyphenyl)methanol
Molecular weight
200.233
clogP
2.915
clogS
-3.127
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
2
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 |
|---|---|---|---|---|---|
| 4eh7_ligand.mol2 | 4eh7 | 1 | -7.74 | c1ccccc1Oc1cc(ccc1)CO | 16 |
| 4eh8_ligand_3_3.mol2 | 4eh8 | 0.868421 | -6.77 | COc1cc(ccc1)CO | 10 |
| 4h38_ligand_4_285.mol2 | 4h38 | 0.868421 | -6.62 | O(c1cc(ccc1)CO)C | 10 |
| 3gz9_ligand_4_299.mol2 | 3gz9 | 0.868421 | -6.29 | O(c1cccc(c1)CO)C | 10 |
| 3h0a_ligand_4_284.mol2 | 3h0a | 0.868421 | -6.29 | OCc1cccc(OC)c1 | 10 |
165 ,
17
