2-bromo-5-iodo-1,3-di(propan-2-yl)benzene

C12H16BrI — CID 86057486

IUPAC2-bromo-5-iodo-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cc(I)cc(C(C)C)c1Br
InChIInChI=1S/C12H16BrI/c1-7(2)10-5-9(14)6-11(8(3)4)12(10)13/h5-8H,1-4H3
InChIKeyIVELKHGZTBWGNN-UHFFFAOYSA-N
MW367.07 g/mol
LogP5.30
Rot. Bonds2

About 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene

2-bromo-5-iodo-1,3-di(propan-2-yl)benzene (PubChem CID 86057486) has the molecular formula C12H16BrI and a molecular weight of 367.07 g/mol. Its IUPAC name is 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-bromo-5-iodo-1,3-di(propan-2-yl)benzene
PubChem CID86057486
Molecular FormulaC12H16BrI
Molecular Weight367.07 g/mol
Exact Mass365.95
IUPAC Name2-bromo-5-iodo-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cc(I)cc(C(C)C)c1Br
InChIInChI=1S/C12H16BrI/c1-7(2)10-5-9(14)6-11(8(3)4)12(10)13/h5-8H,1-4H3
InChIKeyIVELKHGZTBWGNN-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.07
LogP ≤ 55.30
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 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene (CID 86057486) is 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene is CC(C)c1cc(I)cc(C(C)C)c1Br.
What is the InChIKey of 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene?
The InChIKey is IVELKHGZTBWGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrI/c1-7(2)10-5-9(14)6-11(8(3)4)12(10)13/h5-8H,1-4H3.
What are the key properties of 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene?
2-bromo-5-iodo-1,3-di(propan-2-yl)benzene has a molecular weight of 367.07 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 86057486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).