4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

C23H19N3O3 — CID 154233964

About 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol (PubChem CID 154233964) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol.

Molecular Properties

• Compound Name: 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
• PubChem CID: 154233964
• Molecular Formula: C23H19N3O3
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.14
• IUPAC Name: 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
• SMILES: Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(O)cc3O)n2)c(C)c1
• InChI: InChI=1S/C23H19N3O3/c1-13-7-9-16(14(2)11-13)21-24-22(17-5-3-4-6-19(17)28)26-23(25-21)18-10-8-15(27)12-20(18)29/h3-12,27-29H,1-2H3
• InChIKey: IDHXHDJMXLCAML-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 99.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?

The IUPAC name of 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol (CID 154233964) is 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol.

What is the SMILES notation for 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?

The canonical SMILES for 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol is Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(O)cc3O)n2)c(C)c1.

What is the InChIKey of 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?

The InChIKey is IDHXHDJMXLCAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-13-7-9-16(14(2)11-13)21-24-22(17-5-3-4-6-19(17)28)26-23(25-21)18-10-8-15(27)12-20(18)29/h3-12,27-29H,1-2H3.

What are the key properties of 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?

4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol has a molecular weight of 385.42 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 154233964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).