2-(2,4-dimethoxyphenyl)benzotriazole

C14H13N3O2 — CID 10923108

IUPAC2-(2,4-dimethoxyphenyl)benzotriazole
SMILESCOc1ccc(-n2nc3ccccc3n2)c(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-10-7-8-13(14(9-10)19-2)17-15-11-5-3-4-6-12(11)16-17/h3-9H,1-2H3
InChIKeyPOFTYKOHKYBQDI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.44
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)benzotriazole

2-(2,4-dimethoxyphenyl)benzotriazole (PubChem CID 10923108) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)benzotriazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)benzotriazole
PubChem CID10923108
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(2,4-dimethoxyphenyl)benzotriazole
SMILESCOc1ccc(-n2nc3ccccc3n2)c(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-10-7-8-13(14(9-10)19-2)17-15-11-5-3-4-6-12(11)16-17/h3-9H,1-2H3
InChIKeyPOFTYKOHKYBQDI-UHFFFAOYSA-N
XLogP2.44
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)benzotriazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)benzotriazole (CID 10923108) is 2-(2,4-dimethoxyphenyl)benzotriazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)benzotriazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)benzotriazole is COc1ccc(-n2nc3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)benzotriazole?
The InChIKey is POFTYKOHKYBQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-10-7-8-13(14(9-10)19-2)17-15-11-5-3-4-6-12(11)16-17/h3-9H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)benzotriazole?
2-(2,4-dimethoxyphenyl)benzotriazole has a molecular weight of 255.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)benzotriazole is sourced from PubChem (CID 10923108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).