Common name
1-methoxy-3,5-dimethyl-benzene
IUPAC name
1-methoxy-3,5-dimethyl-benzene
SMILES
COc1cc(cc(c1)C)C
Common name
1-methoxy-3,5-dimethyl-benzene
IUPAC name
1-methoxy-3,5-dimethyl-benzene
SMILES
COc1cc(cc(c1)C)C
INCHI
InChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3
FORMULA
C9H12O
Common name
1-methoxy-3,5-dimethyl-benzene
IUPAC name
1-methoxy-3,5-dimethyl-benzene
Molecular weight
136.191
clogP
2.762
clogS
-2.814
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 4v24_ligand_3_49.mol2 | 4v24 | 1 | -7.21 | Cc1cc(cc(c1)OC)C | 10 |
| 4phu_ligand_2_1.mol2 | 4phu | 1 | -6.06 | COc1cc(cc(c1)C)C | 10 |
| 4rwj_ligand_2_10.mol2 | 4rwj | 0.962963 | -7.12 | c1(cccc(c1)OC)C | 9 |
| 3c4f_ligand_2_0.mol2 | 3c4f | 0.962963 | -7.07 | COc1cccc(c1)C | 9 |
| 4v05_ligand_2_14.mol2 | 4v05 | 0.962963 | -7.04 | O(C)c1cc(ccc1)C | 9 |
| 4v05_ligand_2_10.mol2 | 4v05 | 0.962963 | -6.98 | O(C)c1cccc(c1)C | 9 |
| 4rwj_ligand_2_14.mol2 | 4rwj | 0.962963 | -6.97 | c1(cc(ccc1)OC)C | 9 |
122 ,
13
