[(E)-2-diethoxyphosphorylethenyl]benzene

C12H17O3P — CID 5357178

IUPAC[(E)-2-diethoxyphosphorylethenyl]benzene
SMILESCCOP(=O)(/C=C/c1ccccc1)OCC
InChIInChI=1S/C12H17O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKeyYFPQECGBFLMFEI-ZHACJKMWSA-N
MW240.24 g/mol
LogP3.92
Rot. Bonds6

About [(E)-2-diethoxyphosphorylethenyl]benzene

[(E)-2-diethoxyphosphorylethenyl]benzene (PubChem CID 5357178) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is [(E)-2-diethoxyphosphorylethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-diethoxyphosphorylethenyl]benzene
PubChem CID5357178
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Name[(E)-2-diethoxyphosphorylethenyl]benzene
SMILESCCOP(=O)(/C=C/c1ccccc1)OCC
InChIInChI=1S/C12H17O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKeyYFPQECGBFLMFEI-ZHACJKMWSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-diethoxyphosphorylethenyl]benzene?
The IUPAC name of [(E)-2-diethoxyphosphorylethenyl]benzene (CID 5357178) is [(E)-2-diethoxyphosphorylethenyl]benzene.
What is the SMILES notation for [(E)-2-diethoxyphosphorylethenyl]benzene?
The canonical SMILES for [(E)-2-diethoxyphosphorylethenyl]benzene is CCOP(=O)(/C=C/c1ccccc1)OCC.
What is the InChIKey of [(E)-2-diethoxyphosphorylethenyl]benzene?
The InChIKey is YFPQECGBFLMFEI-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H17O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+.
What are the key properties of [(E)-2-diethoxyphosphorylethenyl]benzene?
[(E)-2-diethoxyphosphorylethenyl]benzene has a molecular weight of 240.24 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-diethoxyphosphorylethenyl]benzene is sourced from PubChem (CID 5357178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).