Common name
1-chloro-4-(methoxymethyl)benzene
IUPAC name
1-chloro-4-(methoxymethyl)benzene
SMILES
O(C)Cc1ccc(cc1)Cl
Common name
1-chloro-4-(methoxymethyl)benzene
IUPAC name
1-chloro-4-(methoxymethyl)benzene
SMILES
O(C)Cc1ccc(cc1)Cl
INCHI
InChI=1S/C8H9ClO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
FORMULA
C8H9ClO
Common name
1-chloro-4-(methoxymethyl)benzene
IUPAC name
1-chloro-4-(methoxymethyl)benzene
Molecular weight
156.609
clogP
2.791
clogS
-2.926
Frequency
0.0014
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00612 | Carbinoxamine |
|
Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. Also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. |
| FDBD00976 | Econazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Genito Urinary System and Sex Hormones; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Imidazole Derivatives; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For topical application in the treatment of tinea pedis, tinea cruris, and tinea corporis caused by . |
| FDBD01619 | Cloperastine |
|
Cough and Cold Preparations; Respiratory System; | |
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jdt_ligand_3_0.mol2 | 2jdt | 1 | -6.11 | Clc1ccc(cc1)COC | 10 |
| 2c1a_ligand_3_0.mol2 | 2c1a | 1 | -6.10 | COCc1ccc(Cl)cc1 | 10 |
| 2jdo_ligand_3_0.mol2 | 2jdo | 1 | -5.97 | COCc1ccc(Cl)cc1 | 10 |
| 4mdn_ligand_2_20.mol2 | 4mdn | 0.870968 | -6.96 | c1(ccc(cc1)Cl)CO | 9 |
| 4p90_ligand_1_2.mol2 | 4p90 | 0.870968 | -6.63 | c1c(ccc(c1)CO)Cl | 9 |
| 3myq_ligand_1_3.mol2 | 3myq | 0.870968 | -6.61 | C(O)c1ccc(cc1)Cl | 9 |
| 3m67_ligand_1_3.mol2 | 3m67 | 0.870968 | -6.55 | C(O)c1ccc(cc1)Cl | 9 |
| 2c1b_ligand_2_0.mol2 | 2c1b | 0.870968 | -6.12 | Clc1ccc(cc1)CO | 9 |
| 2c1a_ligand_2_0.mol2 | 2c1a | 0.870968 | -6.10 | OCc1ccc(Cl)cc1 | 9 |
| 2jdt_ligand_2_0.mol2 | 2jdt | 0.870968 | -6.10 | Clc1ccc(cc1)CO | 9 |
141 ,
15
