bromozinc(1+);1-tert-butyl-4-phenylbenzene

C16H17BrZn — CID 146002241

IUPACbromozinc(1+);1-tert-butyl-4-phenylbenzene
SMILESCC(C)(C)c1ccc(-c2c[c-]ccc2)cc1.[Zn+]Br
InChIInChI=1S/C16H17.BrH.Zn/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;;/h4-5,7-12H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyVZVQXRABYWKDIK-UHFFFAOYSA-M
MW354.61 g/mol
LogP5.29
Rot. Bonds1

About bromozinc(1+);1-tert-butyl-4-phenylbenzene

bromozinc(1+);1-tert-butyl-4-phenylbenzene (PubChem CID 146002241) has the molecular formula C16H17BrZn and a molecular weight of 354.61 g/mol. Its IUPAC name is bromozinc(1+);1-tert-butyl-4-phenylbenzene.

Molecular Properties

Compound Namebromozinc(1+);1-tert-butyl-4-phenylbenzene
PubChem CID146002241
Molecular FormulaC16H17BrZn
Molecular Weight354.61 g/mol
Exact Mass351.98
IUPAC Namebromozinc(1+);1-tert-butyl-4-phenylbenzene
SMILESCC(C)(C)c1ccc(-c2c[c-]ccc2)cc1.[Zn+]Br
InChIInChI=1S/C16H17.BrH.Zn/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;;/h4-5,7-12H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyVZVQXRABYWKDIK-UHFFFAOYSA-M
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-tert-butyl-4-phenylbenzene?
The IUPAC name of bromozinc(1+);1-tert-butyl-4-phenylbenzene (CID 146002241) is bromozinc(1+);1-tert-butyl-4-phenylbenzene.
What is the SMILES notation for bromozinc(1+);1-tert-butyl-4-phenylbenzene?
The canonical SMILES for bromozinc(1+);1-tert-butyl-4-phenylbenzene is CC(C)(C)c1ccc(-c2c[c-]ccc2)cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-tert-butyl-4-phenylbenzene?
The InChIKey is VZVQXRABYWKDIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17.BrH.Zn/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;;/h4-5,7-12H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-tert-butyl-4-phenylbenzene?
bromozinc(1+);1-tert-butyl-4-phenylbenzene has a molecular weight of 354.61 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-tert-butyl-4-phenylbenzene is sourced from PubChem (CID 146002241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).