diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate

C17H20NO4P — CID 125496991

IUPACdiethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate
SMILESCCOP(=O)(OCC)Oc1cccc(/C=C/c2ccncc2)c1
InChIInChI=1S/C17H20NO4P/c1-3-20-23(19,21-4-2)22-17-7-5-6-16(14-17)9-8-15-10-12-18-13-11-15/h5-14H,3-4H2,1-2H3/b9-8+
InChIKeyOLLUEBGUPDKTGT-CMDGGOBGSA-N
MW333.32 g/mol
LogP4.81
Rot. Bonds8

About diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate

diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate (PubChem CID 125496991) has the molecular formula C17H20NO4P and a molecular weight of 333.32 g/mol. Its IUPAC name is diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate.

Molecular Properties

Compound Namediethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate
PubChem CID125496991
Molecular FormulaC17H20NO4P
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Namediethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate
SMILESCCOP(=O)(OCC)Oc1cccc(/C=C/c2ccncc2)c1
InChIInChI=1S/C17H20NO4P/c1-3-20-23(19,21-4-2)22-17-7-5-6-16(14-17)9-8-15-10-12-18-13-11-15/h5-14H,3-4H2,1-2H3/b9-8+
InChIKeyOLLUEBGUPDKTGT-CMDGGOBGSA-N
XLogP4.81
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
diethyl (3-nitrophenyl) phosphate
CID 521179
methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
CID 155479516
diethyl (4-formylphenyl) phosphate
CID 10539111
2,1,3-benzoxadiazol-5-yl diethyl phosphate
CID 154381505
diethyl (3-phenanthren-9-ylphenyl) phosphate
CID 54542518
4-[(Z)-2-(3-bromophenyl)ethenyl]pyridine
CID 10038211
(4-chloro-3-methylphenyl) diethyl phosphate
CID 118592997
cadmium(2+);bis(3-[(E)-2-pyridin-4-ylethenyl]benzoate)
CID 15364197
N-ethylethanamine;4-(2-phenylethenyl)pyridine
CID 67628430
4-[[4-[(Z)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid chloride
CID 82026375
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999

Frequently Asked Questions

What is the IUPAC name of diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate?
The IUPAC name of diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate (CID 125496991) is diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate.
What is the SMILES notation for diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate?
The canonical SMILES for diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate is CCOP(=O)(OCC)Oc1cccc(/C=C/c2ccncc2)c1.
What is the InChIKey of diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate?
The InChIKey is OLLUEBGUPDKTGT-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H20NO4P/c1-3-20-23(19,21-4-2)22-17-7-5-6-16(14-17)9-8-15-10-12-18-13-11-15/h5-14H,3-4H2,1-2H3/b9-8+.
What are the key properties of diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate?
diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate has a molecular weight of 333.32 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate is sourced from PubChem (CID 125496991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).