[(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate

C15H11BClF4IO2 — CID 11155678

IUPAC[(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate
SMILESF[B-](F)(F)F.O=C(O/C=C\[I+]c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClIO2.BF4/c16-13-8-6-12(7-9-13)15(18)19-11-10-17-14-4-2-1-3-5-14;2-1(3,4)5/h1-11H;/q+1;-1/b11-10-;
InChIKeyJXDKBYJGYRTXMT-GMFCBQQYSA-N
MW472.41 g/mol
LogP2.23
Rot. Bonds4

About [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate

[(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate (PubChem CID 11155678) has the molecular formula C15H11BClF4IO2 and a molecular weight of 472.41 g/mol. Its IUPAC name is [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate.

Molecular Properties

Compound Name[(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate
PubChem CID11155678
Molecular FormulaC15H11BClF4IO2
Molecular Weight472.41 g/mol
Exact Mass471.95
IUPAC Name[(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate
SMILESF[B-](F)(F)F.O=C(O/C=C\[I+]c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClIO2.BF4/c16-13-8-6-12(7-9-13)15(18)19-11-10-17-14-4-2-1-3-5-14;2-1(3,4)5/h1-11H;/q+1;-1/b11-10-;
InChIKeyJXDKBYJGYRTXMT-GMFCBQQYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-1-enyl 4-chlorobenzoate
CID 10703694
[(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate
CID 10513571
[(Z)-prop-1-enyl] benzoate
CID 11412549
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
3-chloroprop-1-enyl benzoate
CID 54428210
2-methoxyethenyl benzoate
CID 68559568
chloro 4-chlorobenzoate
CID 67325757
[(1Z,3Z)-4-methoxybuta-1,3-dienyl] benzoate
CID 102600427
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534
[(E)-4-oxo-4-phenylbut-2-en-2-yl] 4-chlorobenzoate
CID 169006940
[(E)-2-methylsulfonyloxyethenyl]-phenyliodanium
CID 5325297

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate?
The IUPAC name of [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate (CID 11155678) is [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate.
What is the SMILES notation for [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate?
The canonical SMILES for [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate is F[B-](F)(F)F.O=C(O/C=C\[I+]c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate?
The InChIKey is JXDKBYJGYRTXMT-GMFCBQQYSA-N. The full InChI is InChI=1S/C15H11ClIO2.BF4/c16-13-8-6-12(7-9-13)15(18)19-11-10-17-14-4-2-1-3-5-14;2-1(3,4)5/h1-11H;/q+1;-1/b11-10-;.
What are the key properties of [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate?
[(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate has a molecular weight of 472.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate is sourced from PubChem (CID 11155678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).