1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole

C23H22N3O2P — CID 6063692

IUPAC1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole
SMILESCCO/C(=C\CP(=O)(c1ccccc1)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C23H22N3O2P/c1-2-28-23(26-22-16-10-9-15-21(22)24-25-26)17-18-29(27,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-17H,2,18H2,1H3/b23-17-
InChIKeyPZJHHNSQFACBNL-QJOMJCCJSA-N
MW403.42 g/mol
LogP4.28
Rot. Bonds7

About 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole

1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole (PubChem CID 6063692) has the molecular formula C23H22N3O2P and a molecular weight of 403.42 g/mol. Its IUPAC name is 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole.

Molecular Properties

Compound Name1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole
PubChem CID6063692
Molecular FormulaC23H22N3O2P
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole
SMILESCCO/C(=C\CP(=O)(c1ccccc1)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C23H22N3O2P/c1-2-28-23(26-22-16-10-9-15-21(22)24-25-26)17-18-29(27,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-17H,2,18H2,1H3/b23-17-
InChIKeyPZJHHNSQFACBNL-QJOMJCCJSA-N
XLogP4.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-1-ethoxyprop-1-enyl)benzotriazole
CID 3694394
lithium 1-[(Z)-1-ethoxyprop-1-enyl]benzotriazole
CID 23691160
1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole
CID 10499342
1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole
CID 6517471
1-[(E)-1-bromobut-1-enyl]benzotriazole
CID 26793587
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614
(Z)-2-(benzotriazol-1-yl)oct-2-enenitrile
CID 126613436
benzotriazol-1-yl-(2-ethoxyphenyl)methanone
CID 3418628
ethyl N-(benzotriazol-1-yl)carbamate
CID 71192391
methyl (E)-3-(benzotriazol-1-yl)but-2-enoate
CID 121219039
octadecyl benzotriazole-1-carboxylate
CID 174727674

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole?
The IUPAC name of 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole (CID 6063692) is 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole.
What is the SMILES notation for 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole?
The canonical SMILES for 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole is CCO/C(=C\CP(=O)(c1ccccc1)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole?
The InChIKey is PZJHHNSQFACBNL-QJOMJCCJSA-N. The full InChI is InChI=1S/C23H22N3O2P/c1-2-28-23(26-22-16-10-9-15-21(22)24-25-26)17-18-29(27,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-17H,2,18H2,1H3/b23-17-.
What are the key properties of 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole?
1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole has a molecular weight of 403.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-diphenylphosphoryl-1-ethoxyprop-1-enyl]benzotriazole is sourced from PubChem (CID 6063692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).