[2-(2-diethoxyphosphorylethenyl)phenyl] acetate

C14H19O5P — CID 72578000

IUPAC[2-(2-diethoxyphosphorylethenyl)phenyl] acetate
SMILESCCOP(=O)(C=Cc1ccccc1OC(C)=O)OCC
InChIInChI=1S/C14H19O5P/c1-4-17-20(16,18-5-2)11-10-13-8-6-7-9-14(13)19-12(3)15/h6-11H,4-5H2,1-3H3
InChIKeyMTYPQEBFOXJYNT-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.85
Rot. Bonds7

About [2-(2-diethoxyphosphorylethenyl)phenyl] acetate

[2-(2-diethoxyphosphorylethenyl)phenyl] acetate (PubChem CID 72578000) has the molecular formula C14H19O5P and a molecular weight of 298.28 g/mol. Its IUPAC name is [2-(2-diethoxyphosphorylethenyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(2-diethoxyphosphorylethenyl)phenyl] acetate
PubChem CID72578000
Molecular FormulaC14H19O5P
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name[2-(2-diethoxyphosphorylethenyl)phenyl] acetate
SMILESCCOP(=O)(C=Cc1ccccc1OC(C)=O)OCC
InChIInChI=1S/C14H19O5P/c1-4-17-20(16,18-5-2)11-10-13-8-6-7-9-14(13)19-12(3)15/h6-11H,4-5H2,1-3H3
InChIKeyMTYPQEBFOXJYNT-UHFFFAOYSA-N
XLogP3.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate
CID 67350760
[2-[(E)-3-oxoprop-1-enyl]phenyl] acetate
CID 6069153
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
(2-diethoxyphosphorylcarbonylphenyl) acetate
CID 71443981
2-[(E)-3-diethoxyphosphorylprop-2-enoxy]benzaldehyde
CID 135078263
3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole
CID 11716075
benzene;(2-ethenylphenyl) acetate
CID 175577038
4-[(E)-2-diethoxyphosphorylethenyl]benzoic acid
CID 20713084
[2-(tert-butyliminomethyl)phenyl] acetate
CID 15905761
[2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234408
7-oxabicyclo[2.2.1]hepta-1,3,5-triene;[2-(3-oxo-3-phenylprop-1-enyl)phenyl] acetate
CID 175221703
CID 89138557
CID 89138557

Frequently Asked Questions

What is the IUPAC name of [2-(2-diethoxyphosphorylethenyl)phenyl] acetate?
The IUPAC name of [2-(2-diethoxyphosphorylethenyl)phenyl] acetate (CID 72578000) is [2-(2-diethoxyphosphorylethenyl)phenyl] acetate.
What is the SMILES notation for [2-(2-diethoxyphosphorylethenyl)phenyl] acetate?
The canonical SMILES for [2-(2-diethoxyphosphorylethenyl)phenyl] acetate is CCOP(=O)(C=Cc1ccccc1OC(C)=O)OCC.
What is the InChIKey of [2-(2-diethoxyphosphorylethenyl)phenyl] acetate?
The InChIKey is MTYPQEBFOXJYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O5P/c1-4-17-20(16,18-5-2)11-10-13-8-6-7-9-14(13)19-12(3)15/h6-11H,4-5H2,1-3H3.
What are the key properties of [2-(2-diethoxyphosphorylethenyl)phenyl] acetate?
[2-(2-diethoxyphosphorylethenyl)phenyl] acetate has a molecular weight of 298.28 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diethoxyphosphorylethenyl)phenyl] acetate is sourced from PubChem (CID 72578000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).