2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine

C15H18ClN3O2 — CID 115492564

IUPAC2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
SMILESCCCCc1ccc(Oc2nc(Cl)nc(OCC)n2)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-5-6-11-7-9-12(10-8-11)21-15-18-13(16)17-14(19-15)20-4-2/h7-10H,3-6H2,1-2H3
InChIKeyGNPIQGBGKYFUNE-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.06
Rot. Bonds7

About 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine

2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine (PubChem CID 115492564) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
PubChem CID115492564
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
SMILESCCCCc1ccc(Oc2nc(Cl)nc(OCC)n2)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-5-6-11-7-9-12(10-8-11)21-15-18-13(16)17-14(19-15)20-4-2/h7-10H,3-6H2,1-2H3
InChIKeyGNPIQGBGKYFUNE-UHFFFAOYSA-N
XLogP4.06
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 115492551
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine
CID 62859376
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
2-(4-butylphenoxy)-5-iodopyrimidine
CID 116649242
4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
2-(4-hexylphenoxy)-4,6-diphenoxy-1,3,5-triazine;2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine
CID 167563213
2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine
CID 62859033
2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine
CID 58039547

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine (CID 115492564) is 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine is CCCCc1ccc(Oc2nc(Cl)nc(OCC)n2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine?
The InChIKey is GNPIQGBGKYFUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-5-6-11-7-9-12(10-8-11)21-15-18-13(16)17-14(19-15)20-4-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine?
2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine has a molecular weight of 307.78 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 115492564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).