1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole

C22H18FN3O — CID 139049238

IUPAC1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole
SMILESCCOc1cc(F)ccc1-c1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H18FN3O/c1-2-27-22-14-18(23)10-13-20(22)16-8-11-19(12-9-16)26-15-21(24-25-26)17-6-4-3-5-7-17/h3-15H,2H2,1H3
InChIKeyHFWRQEVYZABWTF-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.14
Rot. Bonds5

About 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole

1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole (PubChem CID 139049238) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole
PubChem CID139049238
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole
SMILESCCOc1cc(F)ccc1-c1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H18FN3O/c1-2-27-22-14-18(23)10-13-20(22)16-8-11-19(12-9-16)26-15-21(24-25-26)17-6-4-3-5-7-17/h3-15H,2H2,1H3
InChIKeyHFWRQEVYZABWTF-UHFFFAOYSA-N
XLogP5.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide
CID 44627437
2-[2-(2''''-Ethoxy-5-fluoro-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 10150237
2-[2-[2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 16736229
2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
CID 16736230
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N-methylaniline
CID 16736234
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
3-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
CID 16736236
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
3-(1-(4-(2-([1,1'-biphenyl]-2-yloxy)ethyl)benzyl)-1H-1,2,3-triazol-4-yl)pyridine
CID 86305277

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole?
The IUPAC name of 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole (CID 139049238) is 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole.
What is the SMILES notation for 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole?
The canonical SMILES for 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole is CCOc1cc(F)ccc1-c1ccc(-n2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole?
The InChIKey is HFWRQEVYZABWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-2-27-22-14-18(23)10-13-20(22)16-8-11-19(12-9-16)26-15-21(24-25-26)17-6-4-3-5-7-17/h3-15H,2H2,1H3.
What are the key properties of 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole?
1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole has a molecular weight of 359.40 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxy-4-fluorophenyl)phenyl]-4-phenyltriazole is sourced from PubChem (CID 139049238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).