(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate

C22H22BF4O2P — CID 12548333

IUPAC(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate
SMILESCCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C22H22O2P.BF4/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)5/h3-17H,2,18H2,1H3;/q+1;-1
InChIKeyUQPNNRHZXUPWPT-UHFFFAOYSA-N
MW436.19 g/mol
LogP4.84
Rot. Bonds6

About (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate

(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate (PubChem CID 12548333) has the molecular formula C22H22BF4O2P and a molecular weight of 436.19 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate
PubChem CID12548333
Molecular FormulaC22H22BF4O2P
Molecular Weight436.19 g/mol
Exact Mass436.14
IUPAC Name(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate
SMILESCCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C22H22O2P.BF4/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)5/h3-17H,2,18H2,1H3;/q+1;-1
InChIKeyUQPNNRHZXUPWPT-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.19
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-2-phenoxyethyl)-triphenylphosphanium tetrafluoroborate
CID 10600883
[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium
CID 23119083
(3-ethoxy-2,3-dioxopropyl)-triphenylphosphanium bromide
CID 2773638
(4-ethoxy-4-oxobutan-2-yl)-triphenylphosphanium
CID 23228193
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497
(3-ethoxy-3-oxo-1-phenylpropyl)-triphenylphosphanium
CID 3492868
2-oxopentyl(triphenyl)phosphanium
CID 20542903
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium
CID 53396364
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
diethyl (2S)-2-benzylbutanedioate
CID 24748926

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate?
The IUPAC name of (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate (CID 12548333) is (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate is CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate?
The InChIKey is UQPNNRHZXUPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2P.BF4/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)5/h3-17H,2,18H2,1H3;/q+1;-1.
What are the key properties of (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate?
(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate has a molecular weight of 436.19 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate is sourced from PubChem (CID 12548333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).