1-[(2,4-dichlorophenyl)methoxy]benzotriazole

C13H9Cl2N3O — CID 682205

IUPAC1-[(2,4-dichlorophenyl)methoxy]benzotriazole
SMILESClc1ccc(COn2nnc3ccccc32)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O/c14-10-6-5-9(11(15)7-10)8-19-18-13-4-2-1-3-12(13)16-17-18/h1-7H,8H2
InChIKeyOFKCNDXFHQAWGJ-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.37
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methoxy]benzotriazole

1-[(2,4-dichlorophenyl)methoxy]benzotriazole (PubChem CID 682205) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methoxy]benzotriazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methoxy]benzotriazole
PubChem CID682205
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name1-[(2,4-dichlorophenyl)methoxy]benzotriazole
SMILESClc1ccc(COn2nnc3ccccc32)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O/c14-10-6-5-9(11(15)7-10)8-19-18-13-4-2-1-3-12(13)16-17-18/h1-7H,8H2
InChIKeyOFKCNDXFHQAWGJ-UHFFFAOYSA-N
XLogP3.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]benzotriazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]benzotriazole (CID 682205) is 1-[(2,4-dichlorophenyl)methoxy]benzotriazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methoxy]benzotriazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methoxy]benzotriazole is Clc1ccc(COn2nnc3ccccc32)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methoxy]benzotriazole?
The InChIKey is OFKCNDXFHQAWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-10-6-5-9(11(15)7-10)8-19-18-13-4-2-1-3-12(13)16-17-18/h1-7H,8H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methoxy]benzotriazole?
1-[(2,4-dichlorophenyl)methoxy]benzotriazole has a molecular weight of 294.14 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methoxy]benzotriazole is sourced from PubChem (CID 682205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).