2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene

C20H21O3PTe — CID 135063598

IUPAC2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene
SMILESCCOP(=O)(/C=C(\[Te]C#Cc1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C20H21O3PTe/c1-3-22-24(21,23-4-2)17-20(19-13-9-6-10-14-19)25-16-15-18-11-7-5-8-12-18/h5-14,17H,3-4H2,1-2H3/b20-17-
InChIKeyVUBNHSGLNQOHSC-JZJYNLBNSA-N
MW467.96 g/mol
LogP4.96
Rot. Bonds7

About 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene

2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene (PubChem CID 135063598) has the molecular formula C20H21O3PTe and a molecular weight of 467.96 g/mol. Its IUPAC name is 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene.

Molecular Properties

Compound Name2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene
PubChem CID135063598
Molecular FormulaC20H21O3PTe
Molecular Weight467.96 g/mol
Exact Mass470.03
IUPAC Name2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene
SMILESCCOP(=O)(/C=C(\[Te]C#Cc1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C20H21O3PTe/c1-3-22-24(21,23-4-2)17-20(19-13-9-6-10-14-19)25-16-15-18-11-7-5-8-12-18/h5-14,17H,3-4H2,1-2H3/b20-17-
InChIKeyVUBNHSGLNQOHSC-JZJYNLBNSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
(2E)-2-(ethoxymethylidene)-1,4-diphenylbut-3-yn-1-one
CID 102203131
[(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene
CID 135078878
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide
CID 11350883
[(E,3E)-3-(diethoxyphosphorylmethylidene)hept-1-enyl]benzene
CID 134934285
[(Z)-3-chloro-1-diethoxyphosphoryl-4-methylpent-1-en-2-yl]selanylbenzene
CID 46177701
3-(diethoxyphosphorylmethylidene)pentoxymethylbenzene
CID 11526775
2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene
CID 25229077

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene?
The IUPAC name of 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene (CID 135063598) is 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene.
What is the SMILES notation for 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene?
The canonical SMILES for 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene is CCOP(=O)(/C=C(\[Te]C#Cc1ccccc1)c1ccccc1)OCC.
What is the InChIKey of 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene?
The InChIKey is VUBNHSGLNQOHSC-JZJYNLBNSA-N. The full InChI is InChI=1S/C20H21O3PTe/c1-3-22-24(21,23-4-2)17-20(19-13-9-6-10-14-19)25-16-15-18-11-7-5-8-12-18/h5-14,17H,3-4H2,1-2H3/b20-17-.
What are the key properties of 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene?
2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene has a molecular weight of 467.96 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene is sourced from PubChem (CID 135063598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).