1-bromo-4-(4-methyliodanuidylphenyl)benzene

C13H11BrI- — CID 163836710

IUPAC1-bromo-4-(4-methyliodanuidylphenyl)benzene
SMILESC[I-]c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrI/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3/q-1
InChIKeyKWWYQISZWHUCDA-UHFFFAOYSA-N
MW374.04 g/mol
LogP1.00
Rot. Bonds2

About 1-bromo-4-(4-methyliodanuidylphenyl)benzene

1-bromo-4-(4-methyliodanuidylphenyl)benzene (PubChem CID 163836710) has the molecular formula C13H11BrI- and a molecular weight of 374.04 g/mol. Its IUPAC name is 1-bromo-4-(4-methyliodanuidylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-methyliodanuidylphenyl)benzene
PubChem CID163836710
Molecular FormulaC13H11BrI-
Molecular Weight374.04 g/mol
Exact Mass372.91
IUPAC Name1-bromo-4-(4-methyliodanuidylphenyl)benzene
SMILESC[I-]c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrI/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3/q-1
InChIKeyKWWYQISZWHUCDA-UHFFFAOYSA-N
XLogP1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-methyliodanuidylphenyl)benzene?
The IUPAC name of 1-bromo-4-(4-methyliodanuidylphenyl)benzene (CID 163836710) is 1-bromo-4-(4-methyliodanuidylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-methyliodanuidylphenyl)benzene?
The canonical SMILES for 1-bromo-4-(4-methyliodanuidylphenyl)benzene is C[I-]c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-methyliodanuidylphenyl)benzene?
The InChIKey is KWWYQISZWHUCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrI/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3/q-1.
What are the key properties of 1-bromo-4-(4-methyliodanuidylphenyl)benzene?
1-bromo-4-(4-methyliodanuidylphenyl)benzene has a molecular weight of 374.04 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-methyliodanuidylphenyl)benzene is sourced from PubChem (CID 163836710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).