1-[(E)-2-bromoethenyl]-4-iodobenzene

C8H6BrI — CID 45358242

IUPAC1-[(E)-2-bromoethenyl]-4-iodobenzene
SMILESBr/C=C/c1ccc(I)cc1
InChIInChI=1S/C8H6BrI/c9-6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+
InChIKeyGZKNZCBINDPTGQ-AATRIKPKSA-N
MW308.94 g/mol
LogP3.66
Rot. Bonds1

About 1-[(E)-2-bromoethenyl]-4-iodobenzene

1-[(E)-2-bromoethenyl]-4-iodobenzene (PubChem CID 45358242) has the molecular formula C8H6BrI and a molecular weight of 308.94 g/mol. Its IUPAC name is 1-[(E)-2-bromoethenyl]-4-iodobenzene.

Molecular Properties

Compound Name1-[(E)-2-bromoethenyl]-4-iodobenzene
PubChem CID45358242
Molecular FormulaC8H6BrI
Molecular Weight308.94 g/mol
Exact Mass307.87
IUPAC Name1-[(E)-2-bromoethenyl]-4-iodobenzene
SMILESBr/C=C/c1ccc(I)cc1
InChIInChI=1S/C8H6BrI/c9-6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+
InChIKeyGZKNZCBINDPTGQ-AATRIKPKSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.94
LogP ≤ 53.66
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

1-iodo-4-[(E)-2-iodoethenyl]benzene
CID 89017176
1-[(E)-2-bromoethenyl]-4-chlorobenzene
CID 5372382
1,3,5-tris[4-[(Z)-2-bromoethenyl]phenyl]benzene
CID 11614249
1-iodo-4-[(E)-2-methoxyethenyl]benzene
CID 122627651
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene
CID 139796527
3-(4-iodophenyl)prop-2-enenitrile
CID 67242782
1-[(E)-2-bromoethenyl]-4-(difluoromethyl)benzene
CID 165465404
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-(2-bromoethenyl)benzenesulfonamide
CID 141164690
1-bromo-4-[(1E,3E)-4-(4-iodophenyl)buta-1,3-dienyl]naphthalene
CID 122627652
1-iodo-4-[(E)-2-[[(E)-2-(4-iodophenyl)ethenyl]sulfonylmethylsulfonyl]ethenyl]benzene
CID 86619224

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromoethenyl]-4-iodobenzene?
The IUPAC name of 1-[(E)-2-bromoethenyl]-4-iodobenzene (CID 45358242) is 1-[(E)-2-bromoethenyl]-4-iodobenzene.
What is the SMILES notation for 1-[(E)-2-bromoethenyl]-4-iodobenzene?
The canonical SMILES for 1-[(E)-2-bromoethenyl]-4-iodobenzene is Br/C=C/c1ccc(I)cc1.
What is the InChIKey of 1-[(E)-2-bromoethenyl]-4-iodobenzene?
The InChIKey is GZKNZCBINDPTGQ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H6BrI/c9-6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+.
What are the key properties of 1-[(E)-2-bromoethenyl]-4-iodobenzene?
1-[(E)-2-bromoethenyl]-4-iodobenzene has a molecular weight of 308.94 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromoethenyl]-4-iodobenzene is sourced from PubChem (CID 45358242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).