1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole

C23H21N3O — CID 141436285

IUPAC1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole
SMILESc1ccc(-c2ccccc2OCCCc2ccc(-n3ccnn3)cc2)cc1
InChIInChI=1S/C23H21N3O/c1-2-8-20(9-3-1)22-10-4-5-11-23(22)27-18-6-7-19-12-14-21(15-13-19)26-17-16-24-25-26/h1-5,8-17H,6-7,18H2
InChIKeySSUFQGKZOBVTMD-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.95
Rot. Bonds7

About 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole

1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole (PubChem CID 141436285) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole.

Molecular Properties

Compound Name1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole
PubChem CID141436285
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole
SMILESc1ccc(-c2ccccc2OCCCc2ccc(-n3ccnn3)cc2)cc1
InChIInChI=1S/C23H21N3O/c1-2-8-20(9-3-1)22-10-4-5-11-23(22)27-18-6-7-19-12-14-21(15-13-19)26-17-16-24-25-26/h1-5,8-17H,6-7,18H2
InChIKeySSUFQGKZOBVTMD-UHFFFAOYSA-N
XLogP4.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole?
The IUPAC name of 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole (CID 141436285) is 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole.
What is the SMILES notation for 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole?
The canonical SMILES for 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole is c1ccc(-c2ccccc2OCCCc2ccc(-n3ccnn3)cc2)cc1.
What is the InChIKey of 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole?
The InChIKey is SSUFQGKZOBVTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-2-8-20(9-3-1)22-10-4-5-11-23(22)27-18-6-7-19-12-14-21(15-13-19)26-17-16-24-25-26/h1-5,8-17H,6-7,18H2.
What are the key properties of 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole?
1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole has a molecular weight of 355.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazole is sourced from PubChem (CID 141436285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).