Common name
3,5-dimethylphenol
IUPAC name
3,5-dimethylphenol
SMILES
c1(cc(cc(c1)C)C)O
Common name
3,5-dimethylphenol
IUPAC name
3,5-dimethylphenol
SMILES
c1(cc(cc(c1)C)C)O
INCHI
InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
FORMULA
C8H10O
Common name
3,5-dimethylphenol
IUPAC name
3,5-dimethylphenol
Molecular weight
122.164
clogP
2.294
clogS
-2.096
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00525 | Metaxalone |
|
Neuromuscular Agents; | For the treatment of painful peripheral musculoskeletal conditions and spasticity from upper motor neuron syndromes. |
| FDBD02737 | triaziflam |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2be2_ligand_1_0.mol2 | 2be2 | 1 | -7.36 | Oc1cc(cc(c1)C)C | 9 |
| 1q4x_ligand_1_4.mol2 | 1q4x | 1 | -7.17 | c1c(cc(cc1C)O)C | 9 |
| 4v24_ligand_2_15.mol2 | 4v24 | 1 | -7.17 | Cc1cc(cc(c1)O)C | 9 |
| 3imy_ligand_1_1.mol2 | 3imy | 1 | -7.16 | c1(cc(cc(c1)C)C)O | 9 |
| 4phu_ligand_1_0.mol2 | 4phu | 1 | -6.14 | c1(cc(cc(c1)C)C)O | 9 |
| 3hfz_ligand_1_1.mol2 | 3hfz | 0.952381 | -7.03 | Cc1cccc(c1)O | 8 |
102 ,
11
