1-Bromo-4-(2-methylbutan-2-yl)benzene

C11H15Br — CID 12900989

IUPAC1-bromo-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)C1=CC=C(C=C1)Br
InChIInChI=1S/C11H15Br/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3
InChIKeyYCXZAZLODXDXSZ-UHFFFAOYSA-N
MW227.14 g/mol
LogP4.80
Rot. Bonds2

About 1-Bromo-4-(2-methylbutan-2-yl)benzene

1-Bromo-4-(2-methylbutan-2-yl)benzene (PubChem CID 12900989) has the molecular formula C11H15Br and a molecular weight of 227.14 g/mol. Its IUPAC name is 1-bromo-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-Bromo-4-(2-methylbutan-2-yl)benzene
PubChem CID12900989
Molecular FormulaC11H15Br
Molecular Weight227.14 g/mol
Exact Mass226.04
IUPAC Name1-bromo-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)C1=CC=C(C=C1)Br
InChIInChI=1S/C11H15Br/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3
InChIKeyYCXZAZLODXDXSZ-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity132

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-Bromo-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-Bromo-4-(2-methylbutan-2-yl)benzene (CID 12900989) is 1-bromo-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-Bromo-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-Bromo-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)C1=CC=C(C=C1)Br.
What is the InChIKey of 1-Bromo-4-(2-methylbutan-2-yl)benzene?
The InChIKey is YCXZAZLODXDXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3.
What are the key properties of 1-Bromo-4-(2-methylbutan-2-yl)benzene?
1-Bromo-4-(2-methylbutan-2-yl)benzene has a molecular weight of 227.14 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Bromo-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 12900989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).