[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate

C13H17Cl2O4P — CID 142518904

IUPAC[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate
SMILESC/C=C(/OP(=O)(OCC)OCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2O4P/c1-4-13(11-8-7-10(14)9-12(11)15)19-20(16,17-5-2)18-6-3/h4,7-9H,5-6H2,1-3H3/b13-4+
InChIKeyFHRUIDSOUDXVGC-YIXHJXPBSA-N
MW339.16 g/mol
LogP5.55
Rot. Bonds7

About [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate

[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate (PubChem CID 142518904) has the molecular formula C13H17Cl2O4P and a molecular weight of 339.16 g/mol. Its IUPAC name is [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate.

Molecular Properties

Compound Name[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate
PubChem CID142518904
Molecular FormulaC13H17Cl2O4P
Molecular Weight339.16 g/mol
Exact Mass338.02
IUPAC Name[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate
SMILESC/C=C(/OP(=O)(OCC)OCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2O4P/c1-4-13(11-8-7-10(14)9-12(11)15)19-20(16,17-5-2)18-6-3/h4,7-9H,5-6H2,1-3H3/b13-4+
InChIKeyFHRUIDSOUDXVGC-YIXHJXPBSA-N
XLogP5.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.16
LogP ≤ 55.55
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

[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
CID 16769
(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine
CID 11110183
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
[(E)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] diethyl phosphate
CID 6445634
(2,5-dichlorophenyl)-ethoxyphosphinic acid
CID 165355272
[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate;2,2-dichloroethenyl dimethyl phosphate;1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate
CID 87221812
(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 60869996
(2,4-dichloro-6-formylphenyl) diethyl phosphate
CID 71394264
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
CID 70539608
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate?
The IUPAC name of [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate (CID 142518904) is [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate.
What is the SMILES notation for [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate?
The canonical SMILES for [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate is C/C=C(/OP(=O)(OCC)OCC)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate?
The InChIKey is FHRUIDSOUDXVGC-YIXHJXPBSA-N. The full InChI is InChI=1S/C13H17Cl2O4P/c1-4-13(11-8-7-10(14)9-12(11)15)19-20(16,17-5-2)18-6-3/h4,7-9H,5-6H2,1-3H3/b13-4+.
What are the key properties of [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate?
[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate has a molecular weight of 339.16 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate is sourced from PubChem (CID 142518904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).