1-bromo-4-(4-iodophenyl)naphthalene

C16H10BrI — CID 58161324

IUPAC1-bromo-4-(4-iodophenyl)naphthalene
SMILESBrc1ccc(-c2ccc(I)cc2)c2ccccc12
InChIInChI=1S/C16H10BrI/c17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16/h1-10H
InChIKeyQIOVFDFDAQOOQH-UHFFFAOYSA-N
MW409.06 g/mol
LogP5.87
Rot. Bonds1

About 1-bromo-4-(4-iodophenyl)naphthalene

1-bromo-4-(4-iodophenyl)naphthalene (PubChem CID 58161324) has the molecular formula C16H10BrI and a molecular weight of 409.06 g/mol. Its IUPAC name is 1-bromo-4-(4-iodophenyl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(4-iodophenyl)naphthalene
PubChem CID58161324
Molecular FormulaC16H10BrI
Molecular Weight409.06 g/mol
Exact Mass407.90
IUPAC Name1-bromo-4-(4-iodophenyl)naphthalene
SMILESBrc1ccc(-c2ccc(I)cc2)c2ccccc12
InChIInChI=1S/C16H10BrI/c17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16/h1-10H
InChIKeyQIOVFDFDAQOOQH-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.06
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-iodophenyl)naphthalene?
The IUPAC name of 1-bromo-4-(4-iodophenyl)naphthalene (CID 58161324) is 1-bromo-4-(4-iodophenyl)naphthalene.
What is the SMILES notation for 1-bromo-4-(4-iodophenyl)naphthalene?
The canonical SMILES for 1-bromo-4-(4-iodophenyl)naphthalene is Brc1ccc(-c2ccc(I)cc2)c2ccccc12.
What is the InChIKey of 1-bromo-4-(4-iodophenyl)naphthalene?
The InChIKey is QIOVFDFDAQOOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrI/c17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16/h1-10H.
What are the key properties of 1-bromo-4-(4-iodophenyl)naphthalene?
1-bromo-4-(4-iodophenyl)naphthalene has a molecular weight of 409.06 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-iodophenyl)naphthalene is sourced from PubChem (CID 58161324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).