4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole

C15H11Cl2N3O — CID 3077671

IUPAC4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole
SMILESClc1ccc(OCc2cn(-c3ccccc3)nn2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O/c16-11-6-7-15(14(17)8-11)21-10-12-9-20(19-18-12)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyGXIKPZVXWDARIR-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.15
Rot. Bonds4

About 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole

4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole (PubChem CID 3077671) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole.

Molecular Properties

Compound Name4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole
PubChem CID3077671
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole
SMILESClc1ccc(OCc2cn(-c3ccccc3)nn2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O/c16-11-6-7-15(14(17)8-11)21-10-12-9-20(19-18-12)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyGXIKPZVXWDARIR-UHFFFAOYSA-N
XLogP4.15
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole?
The IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole (CID 3077671) is 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole.
What is the SMILES notation for 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole?
The canonical SMILES for 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole is Clc1ccc(OCc2cn(-c3ccccc3)nn2)c(Cl)c1.
What is the InChIKey of 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole?
The InChIKey is GXIKPZVXWDARIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c16-11-6-7-15(14(17)8-11)21-10-12-9-20(19-18-12)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole?
4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole has a molecular weight of 320.18 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole is sourced from PubChem (CID 3077671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).