2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol

C7H9Cl2N3O3 — CID 118921875

IUPAC2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol
SMILESOCCOCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O3/c8-5-10-6(9)12-7(11-5)15-4-3-14-2-1-13/h13H,1-4H2
InChIKeyNYIRMBPPWDRNGL-UHFFFAOYSA-N
MW254.07 g/mol
LogP0.57
Rot. Bonds6

About 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol

2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol (PubChem CID 118921875) has the molecular formula C7H9Cl2N3O3 and a molecular weight of 254.07 g/mol. Its IUPAC name is 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol
PubChem CID118921875
Molecular FormulaC7H9Cl2N3O3
Molecular Weight254.07 g/mol
Exact Mass253.00
IUPAC Name2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol
SMILESOCCOCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O3/c8-5-10-6(9)12-7(11-5)15-4-3-14-2-1-13/h13H,1-4H2
InChIKeyNYIRMBPPWDRNGL-UHFFFAOYSA-N
XLogP0.57
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol (CID 118921875) is 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol is OCCOCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol?
The InChIKey is NYIRMBPPWDRNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O3/c8-5-10-6(9)12-7(11-5)15-4-3-14-2-1-13/h13H,1-4H2.
What are the key properties of 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol?
2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol has a molecular weight of 254.07 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol is sourced from PubChem (CID 118921875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).