2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine

C13H13Cl2N3O — CID 55124372

IUPAC2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
SMILESCC(C)(C)c1cccc(Oc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C13H13Cl2N3O/c1-13(2,3)8-5-4-6-9(7-8)19-12-17-10(14)16-11(15)18-12/h4-7H,1-3H3
InChIKeyRHSZZMKGXSEQTE-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.27
Rot. Bonds2

About 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine

2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine (PubChem CID 55124372) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
PubChem CID55124372
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
SMILESCC(C)(C)c1cccc(Oc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C13H13Cl2N3O/c1-13(2,3)8-5-4-6-9(7-8)19-12-17-10(14)16-11(15)18-12/h4-7H,1-3H3
InChIKeyRHSZZMKGXSEQTE-UHFFFAOYSA-N
XLogP4.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine
CID 72547522
2-Chloro-4,6-bis(4-methylphenoxy)-1,3,5-triazine
CID 35653
2,4,6-Tris(4-tert-butylphenoxy)-1,3,5-triazine
CID 260085
6-(2,4-Dimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 134914191
2,4-Dichloro-6-(2-methylphenoxy)-sym-triazine
CID 13154903
2,4,6-Tris(3,5-di-t-butylphenoxy)-1,3,5-triazine
CID 57137559
Bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine
CID 85831750
4,6-Di(allyloxy)-2-(4-nonylphenoxy)-1,3,5-triazine
CID 16205646
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononoxy)-4-(3-methylphenoxy)-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorononoxy)-1,3,5-triazine
CID 176747505
2,4,6-Tris(3-methylphenoxy)-1,3,5-triazine
CID 15972
1,3,5-Triazine, 2,4-dichloro-6-(3-ethynylphenoxy)-
CID 615561
2,4-Dichloro-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]-1,3,5-triazine
CID 85541244

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine (CID 55124372) is 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine is CC(C)(C)c1cccc(Oc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine?
The InChIKey is RHSZZMKGXSEQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-13(2,3)8-5-4-6-9(7-8)19-12-17-10(14)16-11(15)18-12/h4-7H,1-3H3.
What are the key properties of 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine?
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine has a molecular weight of 298.17 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 55124372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).