2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene

C15H23Br — CID 59376441

IUPAC2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene
SMILESCC(C)(C)Cc1ccc(C(C)(C)C)c(Br)c1
InChIInChI=1S/C15H23Br/c1-14(2,3)10-11-7-8-12(13(16)9-11)15(4,5)6/h7-9H,10H2,1-6H3
InChIKeyXFKQYJDRVAWZFA-UHFFFAOYSA-N
MW283.25 g/mol
LogP5.34
Rot. Bonds1

About 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene

2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene (PubChem CID 59376441) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene
PubChem CID59376441
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene
SMILESCC(C)(C)Cc1ccc(C(C)(C)C)c(Br)c1
InChIInChI=1S/C15H23Br/c1-14(2,3)10-11-7-8-12(13(16)9-11)15(4,5)6/h7-9H,10H2,1-6H3
InChIKeyXFKQYJDRVAWZFA-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.25
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene?
The IUPAC name of 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene (CID 59376441) is 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene.
What is the SMILES notation for 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene?
The canonical SMILES for 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene is CC(C)(C)Cc1ccc(C(C)(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene?
The InChIKey is XFKQYJDRVAWZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br/c1-14(2,3)10-11-7-8-12(13(16)9-11)15(4,5)6/h7-9H,10H2,1-6H3.
What are the key properties of 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene?
2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene has a molecular weight of 283.25 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene is sourced from PubChem (CID 59376441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).