diethyl [(E)-1-phenylprop-1-enyl] phosphite

C13H19O3P — CID 23273338

IUPACdiethyl [(E)-1-phenylprop-1-enyl] phosphite
SMILESC/C=C(/OP(OCC)OCC)c1ccccc1
InChIInChI=1S/C13H19O3P/c1-4-13(12-10-8-7-9-11-12)16-17(14-5-2)15-6-3/h4,7-11H,5-6H2,1-3H3/b13-4+
InChIKeyQOANZURHLYKHDT-YIXHJXPBSA-N
MW254.27 g/mol
LogP4.36
Rot. Bonds7

About diethyl [(E)-1-phenylprop-1-enyl] phosphite

diethyl [(E)-1-phenylprop-1-enyl] phosphite (PubChem CID 23273338) has the molecular formula C13H19O3P and a molecular weight of 254.27 g/mol. Its IUPAC name is diethyl [(E)-1-phenylprop-1-enyl] phosphite.

Molecular Properties

Compound Namediethyl [(E)-1-phenylprop-1-enyl] phosphite
PubChem CID23273338
Molecular FormulaC13H19O3P
Molecular Weight254.27 g/mol
Exact Mass254.11
IUPAC Namediethyl [(E)-1-phenylprop-1-enyl] phosphite
SMILESC/C=C(/OP(OCC)OCC)c1ccccc1
InChIInChI=1S/C13H19O3P/c1-4-13(12-10-8-7-9-11-12)16-17(14-5-2)15-6-3/h4,7-11H,5-6H2,1-3H3/b13-4+
InChIKeyQOANZURHLYKHDT-YIXHJXPBSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethyl [(E)-1-phenylprop-1-enyl] phosphite 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

diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
1,2-bis(1-phenylprop-1-enoxy)benzene
CID 70405108
[(E)-1-ethoxy-2-methylsulfinylethenyl]benzene
CID 121219020
(2-bromo-1-phenylethenyl)-diethoxyphosphane
CID 3263023
1-methoxybut-1-enylbenzene
CID 69305429
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
[(1E)-1-ethoxybuta-1,3-dienyl]benzene
CID 10487466
3-ethoxy-3-phenylprop-2-enenitrile
CID 86091715
[(1E)-1-ethoxy-3-methylbuta-1,3-dienyl]benzene
CID 10559531
dimethyl-[(E)-1-phenylprop-1-enoxy]-trimethylsilylsilane
CID 122234206
diethyl hydrogen phosphite;toluene
CID 162138652
[ethoxy(phenyl)methylidene]azanium chloride
CID 11030512

Frequently Asked Questions

What is the IUPAC name of diethyl [(E)-1-phenylprop-1-enyl] phosphite?
The IUPAC name of diethyl [(E)-1-phenylprop-1-enyl] phosphite (CID 23273338) is diethyl [(E)-1-phenylprop-1-enyl] phosphite.
What is the SMILES notation for diethyl [(E)-1-phenylprop-1-enyl] phosphite?
The canonical SMILES for diethyl [(E)-1-phenylprop-1-enyl] phosphite is C/C=C(/OP(OCC)OCC)c1ccccc1.
What is the InChIKey of diethyl [(E)-1-phenylprop-1-enyl] phosphite?
The InChIKey is QOANZURHLYKHDT-YIXHJXPBSA-N. The full InChI is InChI=1S/C13H19O3P/c1-4-13(12-10-8-7-9-11-12)16-17(14-5-2)15-6-3/h4,7-11H,5-6H2,1-3H3/b13-4+.
What are the key properties of diethyl [(E)-1-phenylprop-1-enyl] phosphite?
diethyl [(E)-1-phenylprop-1-enyl] phosphite has a molecular weight of 254.27 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E)-1-phenylprop-1-enyl] phosphite is sourced from PubChem (CID 23273338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).