1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole

C22H19N3O2 — CID 6517471

IUPAC1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole
SMILESCCO/C(=C(/Oc1ccccc1)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-2-26-21(17-11-5-3-6-12-17)22(27-18-13-7-4-8-14-18)25-20-16-10-9-15-19(20)23-24-25/h3-16H,2H2,1H3/b22-21+
InChIKeyCPZFVAAIHBOVEM-QURGRASLSA-N
MW357.41 g/mol
LogP4.83
Rot. Bonds6

About 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole

1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole (PubChem CID 6517471) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole.

Molecular Properties

Compound Name1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole
PubChem CID6517471
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole
SMILESCCO/C(=C(/Oc1ccccc1)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-2-26-21(17-11-5-3-6-12-17)22(27-18-13-7-4-8-14-18)25-20-16-10-9-15-19(20)23-24-25/h3-16H,2H2,1H3/b22-21+
InChIKeyCPZFVAAIHBOVEM-QURGRASLSA-N
XLogP4.83
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
CID 10449065
benzotriazol-1-yl-[4-(2-phenoxyethoxy)phenyl]methanone
CID 4952668
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole
CID 6063692
ethyl N-(benzotriazol-1-yl)carbamate
CID 71192391
hexyl benzotriazole-1-carboxylate
CID 67887474
1-[(E)-2-(4-bromophenyl)-1-methoxy-2-phenylethenyl]benzotriazole
CID 10916514
octadecyl benzotriazole-1-carboxylate
CID 174727674
1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole
CID 10499342
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole?
The IUPAC name of 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole (CID 6517471) is 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole.
What is the SMILES notation for 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole?
The canonical SMILES for 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole is CCO/C(=C(/Oc1ccccc1)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole?
The InChIKey is CPZFVAAIHBOVEM-QURGRASLSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-26-21(17-11-5-3-6-12-17)22(27-18-13-7-4-8-14-18)25-20-16-10-9-15-19(20)23-24-25/h3-16H,2H2,1H3/b22-21+.
What are the key properties of 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole?
1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole has a molecular weight of 357.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole is sourced from PubChem (CID 6517471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).