diethyl 1-phenylprop-1-enyl phosphate

C13H19O4P — CID 71355749

IUPACdiethyl 1-phenylprop-1-enyl phosphate
SMILESCC=C(OP(=O)(OCC)OCC)c1ccccc1
InChIInChI=1S/C13H19O4P/c1-4-13(12-10-8-7-9-11-12)17-18(14,15-5-2)16-6-3/h4,7-11H,5-6H2,1-3H3
InChIKeyWUWZIIZECKVKEL-UHFFFAOYSA-N
MW270.26 g/mol
LogP4.25
Rot. Bonds7

About diethyl 1-phenylprop-1-enyl phosphate

diethyl 1-phenylprop-1-enyl phosphate (PubChem CID 71355749) has the molecular formula C13H19O4P and a molecular weight of 270.26 g/mol. Its IUPAC name is diethyl 1-phenylprop-1-enyl phosphate.

Molecular Properties

Compound Namediethyl 1-phenylprop-1-enyl phosphate
PubChem CID71355749
Molecular FormulaC13H19O4P
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Namediethyl 1-phenylprop-1-enyl phosphate
SMILESCC=C(OP(=O)(OCC)OCC)c1ccccc1
InChIInChI=1S/C13H19O4P/c1-4-13(12-10-8-7-9-11-12)17-18(14,15-5-2)16-6-3/h4,7-11H,5-6H2,1-3H3
InChIKeyWUWZIIZECKVKEL-UHFFFAOYSA-N
XLogP4.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene
CID 12869462
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate
CID 142518904
diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate
CID 134865341
diethyl 1-phenylsulfanylprop-1-en-2-yl phosphate
CID 71351687
[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate
CID 174418871
[(E)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] diethyl phosphate
CID 6445634
diethyl phenylsulfanyl phosphate
CID 141165956
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
(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

Frequently Asked Questions

What is the IUPAC name of diethyl 1-phenylprop-1-enyl phosphate?
The IUPAC name of diethyl 1-phenylprop-1-enyl phosphate (CID 71355749) is diethyl 1-phenylprop-1-enyl phosphate.
What is the SMILES notation for diethyl 1-phenylprop-1-enyl phosphate?
The canonical SMILES for diethyl 1-phenylprop-1-enyl phosphate is CC=C(OP(=O)(OCC)OCC)c1ccccc1.
What is the InChIKey of diethyl 1-phenylprop-1-enyl phosphate?
The InChIKey is WUWZIIZECKVKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O4P/c1-4-13(12-10-8-7-9-11-12)17-18(14,15-5-2)16-6-3/h4,7-11H,5-6H2,1-3H3.
What are the key properties of diethyl 1-phenylprop-1-enyl phosphate?
diethyl 1-phenylprop-1-enyl phosphate has a molecular weight of 270.26 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-phenylprop-1-enyl phosphate is sourced from PubChem (CID 71355749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).