6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole

C23H23N3O4 — CID 162717005

IUPAC6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
SMILESCCOc1ccc(-c2ccc3nnn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1
InChIInChI=1S/C23H23N3O4/c1-5-30-18-9-6-15(7-10-18)16-8-11-19-20(12-16)26(25-24-19)17-13-21(27-2)23(29-4)22(14-17)28-3/h6-14H,5H2,1-4H3
InChIKeyZQAILVQRCPQOEJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.51
Rot. Bonds7

About 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole

6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole (PubChem CID 162717005) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
PubChem CID162717005
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
SMILESCCOc1ccc(-c2ccc3nnn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1
InChIInChI=1S/C23H23N3O4/c1-5-30-18-9-6-15(7-10-18)16-8-11-19-20(12-16)26(25-24-19)17-13-21(27-2)23(29-4)22(14-17)28-3/h6-14H,5H2,1-4H3
InChIKeyZQAILVQRCPQOEJ-UHFFFAOYSA-N
XLogP4.51
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole?
The IUPAC name of 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole (CID 162717005) is 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole?
The canonical SMILES for 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole is CCOc1ccc(-c2ccc3nnn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole?
The InChIKey is ZQAILVQRCPQOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-5-30-18-9-6-15(7-10-18)16-8-11-19-20(12-16)26(25-24-19)17-13-21(27-2)23(29-4)22(14-17)28-3/h6-14H,5H2,1-4H3.
What are the key properties of 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole?
6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole has a molecular weight of 405.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole is sourced from PubChem (CID 162717005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).