Common name
2-(4-methoxy-2,3-dimethylphenyl)ethanol
IUPAC name
2-(4-methoxy-2,3-dimethylphenyl)ethanol
SMILES
OCCc1c(c(c(OC)cc1)C)C
Common name
2-(4-methoxy-2,3-dimethylphenyl)ethanol
IUPAC name
2-(4-methoxy-2,3-dimethylphenyl)ethanol
SMILES
OCCc1c(c(c(OC)cc1)C)C
INCHI
InChI=1S/C11H16O2/c1-8-9(2)11(13-3)5-4-10(8)6-7-12/h4-5,12H,6-7H2,1-3H3
FORMULA
C11H16O2
Common name
2-(4-methoxy-2,3-dimethylphenyl)ethanol
IUPAC name
2-(4-methoxy-2,3-dimethylphenyl)ethanol
Molecular weight
180.244
clogP
2.986
clogS
-3.230
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total Polar
Surface Area
29.46
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02312 | pyrimidifen |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ikt_ligand_3_121.mol2 | 1ikt | 0.673913 | -7.22 | COc1ccc(cc1)C(C)C | 11 |
| 4i7f_ligand_4_121.mol2 | 4i7f | 0.673913 | -7.11 | CCc1ccc(cc1)OC | 10 |
| 1xlz_ligand_2_4.mol2 | 1xlz | 0.673913 | -7.02 | C(C)c1ccc(OC)cc1 | 10 |
| 4y2t_ligand_4_6.mol2 | 4y2t | 0.673913 | -6.94 | O(C)c1ccc(CC)cc1 | 10 |
| 2p7z_ligand_3_46.mol2 | 2p7z | 0.673913 | -6.72 | O(c1ccc(cc1)CC)C | 10 |
| 2bj4_ligand_3_46.mol2 | 2bj4 | 0.673913 | -6.69 | CCc1ccc(cc1)OC | 10 |
| 1ya4_ligand_3_23.mol2 | 1ya4 | 0.673913 | -6.67 | O(C)c1ccc(CC)cc1 | 10 |
| 4qkx_ligand_4_114.mol2 | 4qkx | 0.673913 | -6.66 | C(c1ccc(cc1)OC)C | 10 |
| 1vjb_ligand_3_46.mol2 | 1vjb | 0.673913 | -6.60 | O(c1ccc(cc1)CC)C | 10 |
113 ,
12
