phenyl-[(E)-2-phenylprop-1-enyl]iodanium

C15H14I+ — CID 12014626

IUPACphenyl-[(E)-2-phenylprop-1-enyl]iodanium
SMILESC/C(=C\[I+]c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14I/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2-12H,1H3/q+1/b13-12+
InChIKeyXIWYLJSCIITNNV-OUKQBFOZSA-N
MW321.18 g/mol
LogP1.01
Rot. Bonds3

About phenyl-[(E)-2-phenylprop-1-enyl]iodanium

phenyl-[(E)-2-phenylprop-1-enyl]iodanium (PubChem CID 12014626) has the molecular formula C15H14I+ and a molecular weight of 321.18 g/mol. Its IUPAC name is phenyl-[(E)-2-phenylprop-1-enyl]iodanium.

Molecular Properties

Compound Namephenyl-[(E)-2-phenylprop-1-enyl]iodanium
PubChem CID12014626
Molecular FormulaC15H14I+
Molecular Weight321.18 g/mol
Exact Mass321.01
IUPAC Namephenyl-[(E)-2-phenylprop-1-enyl]iodanium
SMILESC/C(=C\[I+]c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14I/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2-12H,1H3/q+1/b13-12+
InChIKeyXIWYLJSCIITNNV-OUKQBFOZSA-N
XLogP1.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 5152757
1-iodoprop-1-en-2-ylbenzene
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[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
[(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium
CID 10763951
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
4-phenylpent-3-en-2-one
CID 594380
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium
CID 14196223
[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
CID 134877789
1-[(Z)-2-phenylprop-1-enyl]aziridine
CID 87132052
ethane;4-phenylpent-3-en-2-one
CID 123324566
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722

Frequently Asked Questions

What is the IUPAC name of phenyl-[(E)-2-phenylprop-1-enyl]iodanium?
The IUPAC name of phenyl-[(E)-2-phenylprop-1-enyl]iodanium (CID 12014626) is phenyl-[(E)-2-phenylprop-1-enyl]iodanium.
What is the SMILES notation for phenyl-[(E)-2-phenylprop-1-enyl]iodanium?
The canonical SMILES for phenyl-[(E)-2-phenylprop-1-enyl]iodanium is C/C(=C\[I+]c1ccccc1)c1ccccc1.
What is the InChIKey of phenyl-[(E)-2-phenylprop-1-enyl]iodanium?
The InChIKey is XIWYLJSCIITNNV-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H14I/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2-12H,1H3/q+1/b13-12+.
What are the key properties of phenyl-[(E)-2-phenylprop-1-enyl]iodanium?
phenyl-[(E)-2-phenylprop-1-enyl]iodanium has a molecular weight of 321.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(E)-2-phenylprop-1-enyl]iodanium is sourced from PubChem (CID 12014626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).