1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole

C17H14BrN3 — CID 155559106

IUPAC1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole
SMILESBrc1ccc(/C(=C\c2ccccc2)Cn2ccnn2)cc1
InChIInChI=1S/C17H14BrN3/c18-17-8-6-15(7-9-17)16(13-21-11-10-19-20-21)12-14-4-2-1-3-5-14/h1-12H,13H2/b16-12-
InChIKeyCRLOPYMQZPJDRE-VBKFSLOCSA-N
MW340.22 g/mol
LogP4.28
Rot. Bonds4

About 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole

1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole (PubChem CID 155559106) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole
PubChem CID155559106
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC Name1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole
SMILESBrc1ccc(/C(=C\c2ccccc2)Cn2ccnn2)cc1
InChIInChI=1S/C17H14BrN3/c18-17-8-6-15(7-9-17)16(13-21-11-10-19-20-21)12-14-4-2-1-3-5-14/h1-12H,13H2/b16-12-
InChIKeyCRLOPYMQZPJDRE-VBKFSLOCSA-N
XLogP4.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole (CID 155559106) is 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole is Brc1ccc(/C(=C\c2ccccc2)Cn2ccnn2)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole?
The InChIKey is CRLOPYMQZPJDRE-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H14BrN3/c18-17-8-6-15(7-9-17)16(13-21-11-10-19-20-21)12-14-4-2-1-3-5-14/h1-12H,13H2/b16-12-.
What are the key properties of 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole?
1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole has a molecular weight of 340.22 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole is sourced from PubChem (CID 155559106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).