1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole

C18H19N3O2 — CID 2199683

IUPAC1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole
SMILESc1ccc(-c2ccc(OCCOCCn3cncn3)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-4-16(5-3-1)17-6-8-18(9-7-17)23-13-12-22-11-10-21-15-19-14-20-21/h1-9,14-15H,10-13H2
InChIKeyMQBRUMAHHACPGI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.04
Rot. Bonds8

About 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole

1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole (PubChem CID 2199683) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole
PubChem CID2199683
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole
SMILESc1ccc(-c2ccc(OCCOCCn3cncn3)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-4-16(5-3-1)17-6-8-18(9-7-17)23-13-12-22-11-10-21-15-19-14-20-21/h1-9,14-15H,10-13H2
InChIKeyMQBRUMAHHACPGI-UHFFFAOYSA-N
XLogP3.04
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole
CID 86975191
1-[3-(4-phenylmethoxyphenoxy)propyl]-1,2,4-triazole
CID 2199997
4-[3-(1,2,4-triazol-1-yl)propoxy]benzoic acid
CID 63073725
4-[3-(1,2,4-triazol-1-yl)propoxy]benzonitrile
CID 43289176
benzotriazol-1-yl-[4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]phenyl]methanone
CID 56988742
1-[4-(4-phenylmethoxyphenyl)butyl]-1,2,4-triazole
CID 22009834
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
3-methyl-3-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 70475201
ethyl 4-[2-(1,2,4-triazol-1-yl)ethoxy]benzoate
CID 13457584
1-[(4-methylphenoxy)methyl]-1,2,4-triazole
CID 23517766
5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 11653165

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole (CID 2199683) is 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole is c1ccc(-c2ccc(OCCOCCn3cncn3)cc2)cc1.
What is the InChIKey of 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole?
The InChIKey is MQBRUMAHHACPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-4-16(5-3-1)17-6-8-18(9-7-17)23-13-12-22-11-10-21-15-19-14-20-21/h1-9,14-15H,10-13H2.
What are the key properties of 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole?
1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole has a molecular weight of 309.37 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole is sourced from PubChem (CID 2199683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).