4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole

C23H20FN3O — CID 146169376

IUPAC4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole
SMILESFc1cccc(Cn2cc(COc3ccc(Cc4ccccc4)cc3)nn2)c1
InChIInChI=1S/C23H20FN3O/c24-21-8-4-7-20(14-21)15-27-16-22(25-26-27)17-28-23-11-9-19(10-12-23)13-18-5-2-1-3-6-18/h1-12,14,16H,13,15,17H2
InChIKeyOEIAIAUYCJFWGA-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.64
Rot. Bonds7

About 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole

4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole (PubChem CID 146169376) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole.

Molecular Properties

Compound Name4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole
PubChem CID146169376
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole
SMILESFc1cccc(Cn2cc(COc3ccc(Cc4ccccc4)cc3)nn2)c1
InChIInChI=1S/C23H20FN3O/c24-21-8-4-7-20(14-21)15-27-16-22(25-26-27)17-28-23-11-9-19(10-12-23)13-18-5-2-1-3-6-18/h1-12,14,16H,13,15,17H2
InChIKeyOEIAIAUYCJFWGA-UHFFFAOYSA-N
XLogP4.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole?
The IUPAC name of 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole (CID 146169376) is 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole.
What is the SMILES notation for 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole?
The canonical SMILES for 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole is Fc1cccc(Cn2cc(COc3ccc(Cc4ccccc4)cc3)nn2)c1.
What is the InChIKey of 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole?
The InChIKey is OEIAIAUYCJFWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-21-8-4-7-20(14-21)15-27-16-22(25-26-27)17-28-23-11-9-19(10-12-23)13-18-5-2-1-3-6-18/h1-12,14,16H,13,15,17H2.
What are the key properties of 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole?
4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole has a molecular weight of 373.43 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylphenoxy)methyl]-1-[(3-fluorophenyl)methyl]triazole is sourced from PubChem (CID 146169376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).