1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole

C15H19N3O3 — CID 99842322

IUPAC1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole
SMILESc1cc(OCCO[C@@H]2CCCCO2)cc(-n2ccnn2)c1
InChIInChI=1S/C15H19N3O3/c1-2-9-20-15(6-1)21-11-10-19-14-5-3-4-13(12-14)18-8-7-16-17-18/h3-5,7-8,12,15H,1-2,6,9-11H2/t15-/m1/s1
InChIKeyPFQAUXMSFGOFOI-OAHLLOKOSA-N
MW289.33 g/mol
LogP2.19
Rot. Bonds6

About 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole

1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole (PubChem CID 99842322) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole.

Molecular Properties

Compound Name1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole
PubChem CID99842322
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole
SMILESc1cc(OCCO[C@@H]2CCCCO2)cc(-n2ccnn2)c1
InChIInChI=1S/C15H19N3O3/c1-2-9-20-15(6-1)21-11-10-19-14-5-3-4-13(12-14)18-8-7-16-17-18/h3-5,7-8,12,15H,1-2,6,9-11H2/t15-/m1/s1
InChIKeyPFQAUXMSFGOFOI-OAHLLOKOSA-N
XLogP2.19
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
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 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole?
The IUPAC name of 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole (CID 99842322) is 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole.
What is the SMILES notation for 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole?
The canonical SMILES for 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole is c1cc(OCCO[C@@H]2CCCCO2)cc(-n2ccnn2)c1.
What is the InChIKey of 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole?
The InChIKey is PFQAUXMSFGOFOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-9-20-15(6-1)21-11-10-19-14-5-3-4-13(12-14)18-8-7-16-17-18/h3-5,7-8,12,15H,1-2,6,9-11H2/t15-/m1/s1.
What are the key properties of 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole?
1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole has a molecular weight of 289.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(2R)-oxan-2-yl]oxyethoxy]phenyl]triazole is sourced from PubChem (CID 99842322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).