[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene

C13H19O3P — CID 15103917

IUPAC[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
SMILESC/C=C(/c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C13H19O3P/c1-4-13(12-10-8-7-9-11-12)17(14,15-5-2)16-6-3/h4,7-11H,5-6H2,1-3H3/b13-4-
InChIKeyCVFIVFCNXRTVSC-PQMHYQBVSA-N
MW254.27 g/mol
LogP4.31
Rot. Bonds6

About [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene

[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene (PubChem CID 15103917) has the molecular formula C13H19O3P and a molecular weight of 254.27 g/mol. Its IUPAC name is [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
PubChem CID15103917
Molecular FormulaC13H19O3P
Molecular Weight254.27 g/mol
Exact Mass254.11
IUPAC Name[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
SMILESC/C=C(/c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C13H19O3P/c1-4-13(12-10-8-7-9-11-12)17(14,15-5-2)16-6-3/h4,7-11H,5-6H2,1-3H3/b13-4-
InChIKeyCVFIVFCNXRTVSC-PQMHYQBVSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene 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

(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
CID 134873610
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
[(Z)-2-bromo-1-diethylphosphorylethenyl]benzene
CID 23273187
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
[(E)-2-diethoxyphosphorylpent-3-enoyl] benzoate
CID 101252742
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545
(E)-3-diethoxyphosphoryl-3-(furan-2-yl)prop-2-enoic acid
CID 156598408
1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methylbenzene
CID 11771682
2-diethoxyphosphorylprop-2-enoxymethylbenzene
CID 11129808
[(E)-2-chloro-1-diethoxyphosphorylprop-1-enyl]sulfanylbenzene
CID 13310544

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene?
The IUPAC name of [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene (CID 15103917) is [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene?
The canonical SMILES for [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene is C/C=C(/c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene?
The InChIKey is CVFIVFCNXRTVSC-PQMHYQBVSA-N. The full InChI is InChI=1S/C13H19O3P/c1-4-13(12-10-8-7-9-11-12)17(14,15-5-2)16-6-3/h4,7-11H,5-6H2,1-3H3/b13-4-.
What are the key properties of [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene?
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene has a molecular weight of 254.27 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-diethoxyphosphorylprop-1-enyl]benzene is sourced from PubChem (CID 15103917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).