[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene

C12H16ClO3P — CID 92533089

IUPAC[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
SMILESCCOP(=O)(/C=C(/Cl)c1ccccc1)OCC
InChIInChI=1S/C12H16ClO3P/c1-3-15-17(14,16-4-2)10-12(13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+
InChIKeyVZJDFIKGZLQPMF-ZRDIBKRKSA-N
MW274.68 g/mol
LogP4.49
Rot. Bonds6

About [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene

[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene (PubChem CID 92533089) has the molecular formula C12H16ClO3P and a molecular weight of 274.68 g/mol. Its IUPAC name is [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene.

Molecular Properties

Compound Name[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
PubChem CID92533089
Molecular FormulaC12H16ClO3P
Molecular Weight274.68 g/mol
Exact Mass274.05
IUPAC Name[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
SMILESCCOP(=O)(/C=C(/Cl)c1ccccc1)OCC
InChIInChI=1S/C12H16ClO3P/c1-3-15-17(14,16-4-2)10-12(13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+
InChIKeyVZJDFIKGZLQPMF-ZRDIBKRKSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
CID 6307479
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
(Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 40511910
2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene
CID 135063598
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
[(Z)-3-chloro-1-diethoxyphosphoryl-4-methylpent-1-en-2-yl]selanylbenzene
CID 46177701
1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
CID 12672249
[(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene
CID 135078878
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene?
The IUPAC name of [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene (CID 92533089) is [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene.
What is the SMILES notation for [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene?
The canonical SMILES for [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene is CCOP(=O)(/C=C(/Cl)c1ccccc1)OCC.
What is the InChIKey of [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene?
The InChIKey is VZJDFIKGZLQPMF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H16ClO3P/c1-3-15-17(14,16-4-2)10-12(13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+.
What are the key properties of [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene?
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene has a molecular weight of 274.68 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene is sourced from PubChem (CID 92533089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).