Common name
2,3,4-trimethylphenol
IUPAC name
2,3,4-trimethylphenol
SMILES
Cc1c(c(ccc1C)O)C
Common name
2,3,4-trimethylphenol
IUPAC name
2,3,4-trimethylphenol
SMILES
Cc1c(c(ccc1C)O)C
INCHI
InChI=1S/C9H12O/c1-6-4-5-9(10)8(3)7(6)2/h4-5,10H,1-3H3
FORMULA
C9H12O
Common name
2,3,4-trimethylphenol
IUPAC name
2,3,4-trimethylphenol
Molecular weight
136.191
clogP
2.745
clogS
-2.650
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 |
|---|---|---|---|---|
| FDBD00790 | Oxymetazoline |
|
Sympathomimetics; Adrenergic alpha-Agonists; Nasal Decongestants; Respiratory System; Ophthalmologicals; Sensory Organs; Nasal Preparations; Sympathomimetics, Plain; Sympathomimetics Used as Decongestants; Decongestants and Antiallergics; Alpha2 Agonists; | For treatment of nasal congestion and redness associated with minor irritations of the eye. |
| FDBD02312 | pyrimidifen |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q4x_ligand_2_12.mol2 | 1q4x | 0.958333 | -7.44 | Cc1c(cc(cc1C)O)C | 10 |
| 3imy_ligand_2_4.mol2 | 3imy | 0.958333 | -7.43 | c1(cc(c(c(c1)C)C)C)O | 10 |
| 3cbs_ligand_frag_0.mol2 | 3cbs | 0.92 | -6.71 | c1(cc(cc(c1C)C)C)O | 10 |
| 3gz9_ligand_1_1.mol2 | 3gz9 | 0.916667 | -7.05 | Oc1cccc(c1C)C | 9 |
| 3fej_ligand_2_16.mol2 | 3fej | 0.916667 | -6.99 | Oc1cc(c(C)cc1)C | 9 |
145 ,
15
