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

C12H17Br — CID 11630091

IUPAC1-bromo-3,5-di(propan-2-yl)benzene
SMILESCC(C)c1cc(Br)cc(C(C)C)c1
InChIInChI=1S/C12H17Br/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9H,1-4H3
InChIKeyVRKJTEHREIEDIE-UHFFFAOYSA-N
MW241.17 g/mol
LogP4.70
Rot. Bonds2

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

1-bromo-3,5-di(propan-2-yl)benzene (PubChem CID 11630091) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-bromo-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-3,5-di(propan-2-yl)benzene
PubChem CID11630091
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name1-bromo-3,5-di(propan-2-yl)benzene
SMILESCC(C)c1cc(Br)cc(C(C)C)c1
InChIInChI=1S/C12H17Br/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9H,1-4H3
InChIKeyVRKJTEHREIEDIE-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-bromo-3,5-di(propan-2-yl)benzene (CID 11630091) is 1-bromo-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-bromo-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-bromo-3,5-di(propan-2-yl)benzene is CC(C)c1cc(Br)cc(C(C)C)c1.
What is the InChIKey of 1-bromo-3,5-di(propan-2-yl)benzene?
The InChIKey is VRKJTEHREIEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9H,1-4H3.
What are the key properties of 1-bromo-3,5-di(propan-2-yl)benzene?
1-bromo-3,5-di(propan-2-yl)benzene has a molecular weight of 241.17 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 11630091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).