4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol

C15H19N3O — CID 135974008

IUPAC4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol
SMILESCc1nc(C)nc(-c2cc(C(C)(C)C)ccc2O)n1
InChIInChI=1S/C15H19N3O/c1-9-16-10(2)18-14(17-9)12-8-11(15(3,4)5)6-7-13(12)19/h6-8,19H,1-5H3
InChIKeyBWZQLVJQEQFOLU-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.16
Rot. Bonds1

About 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol

4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol (PubChem CID 135974008) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol
PubChem CID135974008
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol
SMILESCc1nc(C)nc(-c2cc(C(C)(C)C)ccc2O)n1
InChIInChI=1S/C15H19N3O/c1-9-16-10(2)18-14(17-9)12-8-11(15(3,4)5)6-7-13(12)19/h6-8,19H,1-5H3
InChIKeyBWZQLVJQEQFOLU-UHFFFAOYSA-N
XLogP3.16
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol (CID 135974008) is 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol is Cc1nc(C)nc(-c2cc(C(C)(C)C)ccc2O)n1.
What is the InChIKey of 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol?
The InChIKey is BWZQLVJQEQFOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-16-10(2)18-14(17-9)12-8-11(15(3,4)5)6-7-13(12)19/h6-8,19H,1-5H3.
What are the key properties of 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol?
4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol has a molecular weight of 257.34 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 135974008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).