[(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene

C18H21O3P — CID 11267053

IUPAC[(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene
SMILESCCOP(=O)(OCC)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O3P/c1-3-20-22(19,21-4-2)18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b18-15-
InChIKeyMWSZRAXOVVBVQT-SDXDJHTJSA-N
MW316.34 g/mol
LogP5.45
Rot. Bonds7

About [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene

[(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene (PubChem CID 11267053) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene
PubChem CID11267053
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name[(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene
SMILESCCOP(=O)(OCC)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O3P/c1-3-20-22(19,21-4-2)18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b18-15-
InChIKeyMWSZRAXOVVBVQT-SDXDJHTJSA-N
XLogP5.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.34
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene?
The IUPAC name of [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene (CID 11267053) is [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene.
What is the SMILES notation for [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene?
The canonical SMILES for [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene is CCOP(=O)(OCC)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene?
The InChIKey is MWSZRAXOVVBVQT-SDXDJHTJSA-N. The full InChI is InChI=1S/C18H21O3P/c1-3-20-22(19,21-4-2)18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b18-15-.
What are the key properties of [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene?
[(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene has a molecular weight of 316.34 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-diethoxyphosphoryl-2-phenylethenyl]benzene is sourced from PubChem (CID 11267053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).