1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole

C24H23N3O — CID 10499342

IUPAC1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole
SMILESCCO/C(=C/C(Cc1ccccc1)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C24H23N3O/c1-2-28-24(27-23-16-10-9-15-22(23)25-26-27)18-21(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-16,18,21H,2,17H2,1H3/b24-18+
InChIKeyGGNCCEZRFLVHCC-HKOYGPOVSA-N
MW369.47 g/mol
LogP5.29
Rot. Bonds7

About 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole

1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole (PubChem CID 10499342) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole.

Molecular Properties

Compound Name1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole
PubChem CID10499342
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole
SMILESCCO/C(=C/C(Cc1ccccc1)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C24H23N3O/c1-2-28-24(27-23-16-10-9-15-22(23)25-26-27)18-21(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-16,18,21H,2,17H2,1H3/b24-18+
InChIKeyGGNCCEZRFLVHCC-HKOYGPOVSA-N
XLogP5.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

lithium 1-[(Z)-1-ethoxyprop-1-enyl]benzotriazole
CID 23691160
1-(3-bromo-1-ethoxyprop-1-enyl)benzotriazole
CID 3694394
1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole
CID 6063692
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
benzyl N-[(2R)-1-(benzotriazol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 40650676
1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole
CID 6517471
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
1-[(E)-1-bromobut-1-enyl]benzotriazole
CID 26793587
[2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane
CID 3755858
ethyl (2R)-3-(benzotriazol-1-yl)-2-cyclohexyl-3-oxopropanoate
CID 28661303
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole?
The IUPAC name of 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole (CID 10499342) is 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole.
What is the SMILES notation for 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole?
The canonical SMILES for 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole is CCO/C(=C/C(Cc1ccccc1)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole?
The InChIKey is GGNCCEZRFLVHCC-HKOYGPOVSA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-28-24(27-23-16-10-9-15-22(23)25-26-27)18-21(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-16,18,21H,2,17H2,1H3/b24-18+.
What are the key properties of 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole?
1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole has a molecular weight of 369.47 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole is sourced from PubChem (CID 10499342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).