[(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium

C17H18I+ — CID 10526902

IUPAC[(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium
SMILESCc1cc(C)c([I+]/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C17H18I/c1-13-11-14(2)17(15(3)12-13)18-10-9-16-7-5-4-6-8-16/h4-12H,1-3H3/q+1/b10-9+
InChIKeyDQCJURQFYJROHC-MDZDMXLPSA-N
MW349.24 g/mol
LogP1.54
Rot. Bonds3

About [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium

[(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium (PubChem CID 10526902) has the molecular formula C17H18I+ and a molecular weight of 349.24 g/mol. Its IUPAC name is [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium.

Molecular Properties

Compound Name[(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium
PubChem CID10526902
Molecular FormulaC17H18I+
Molecular Weight349.24 g/mol
Exact Mass349.04
IUPAC Name[(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium
SMILESCc1cc(C)c([I+]/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C17H18I/c1-13-11-14(2)17(15(3)12-13)18-10-9-16-7-5-4-6-8-16/h4-12H,1-3H3/q+1/b10-9+
InChIKeyDQCJURQFYJROHC-MDZDMXLPSA-N
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 51.54
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

methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene
CID 15751246
(4-methoxyphenyl)-(2-phenylethenyl)iodanium
CID 88650705
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453
1,3-dimethyl-5-(2-phenylethenoxy)benzene
CID 71429052
1-[2,4-dimethyl-6-[(E)-2-phenylethenyl]phenyl]-N,N-dimethylmethanamine
CID 6297072
2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
CID 166844983
2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
CID 101353139
benzaldehyde;oxophosphane;1,3,5-trimethylbenzene
CID 174455120
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
CID 70569152
CID 70569152
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium?
The IUPAC name of [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium (CID 10526902) is [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium.
What is the SMILES notation for [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium?
The canonical SMILES for [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium is Cc1cc(C)c([I+]/C=C/c2ccccc2)c(C)c1.
What is the InChIKey of [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium?
The InChIKey is DQCJURQFYJROHC-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18I/c1-13-11-14(2)17(15(3)12-13)18-10-9-16-7-5-4-6-8-16/h4-12H,1-3H3/q+1/b10-9+.
What are the key properties of [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium?
[(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium has a molecular weight of 349.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium is sourced from PubChem (CID 10526902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).