1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole

C20H13Cl2N3O — CID 2805134

IUPAC1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole
SMILESClc1ccc(Oc2ccccc2-n2nncc2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H13Cl2N3O/c21-15-10-11-19(16(22)12-15)26-20-9-5-4-8-17(20)25-18(13-23-24-25)14-6-2-1-3-7-14/h1-13H
InChIKeyDBEYUZCXEFPGCJ-UHFFFAOYSA-N
MW382.25 g/mol
LogP6.03
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole

1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole (PubChem CID 2805134) has the molecular formula C20H13Cl2N3O and a molecular weight of 382.25 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole
PubChem CID2805134
Molecular FormulaC20H13Cl2N3O
Molecular Weight382.25 g/mol
Exact Mass381.04
IUPAC Name1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole
SMILESClc1ccc(Oc2ccccc2-n2nncc2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H13Cl2N3O/c21-15-10-11-19(16(22)12-15)26-20-9-5-4-8-17(20)25-18(13-23-24-25)14-6-2-1-3-7-14/h1-13H
InChIKeyDBEYUZCXEFPGCJ-UHFFFAOYSA-N
XLogP6.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole (CID 2805134) is 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole is Clc1ccc(Oc2ccccc2-n2nncc2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole?
The InChIKey is DBEYUZCXEFPGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O/c21-15-10-11-19(16(22)12-15)26-20-9-5-4-8-17(20)25-18(13-23-24-25)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole?
1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole has a molecular weight of 382.25 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole is sourced from PubChem (CID 2805134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).