2-bromo-1,4-di(propan-2-yl)benzene

C12H17Br — CID 11958980

IUPAC2-bromo-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C12H17Br/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9H,1-4H3
InChIKeyKSFMKBVDTMONEL-UHFFFAOYSA-N
MW241.17 g/mol
LogP4.70
Rot. Bonds2

About 2-bromo-1,4-di(propan-2-yl)benzene

2-bromo-1,4-di(propan-2-yl)benzene (PubChem CID 11958980) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is 2-bromo-1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-bromo-1,4-di(propan-2-yl)benzene
PubChem CID11958980
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name2-bromo-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C12H17Br/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9H,1-4H3
InChIKeyKSFMKBVDTMONEL-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 2-bromo-1,4-di(propan-2-yl)benzene?
The IUPAC name of 2-bromo-1,4-di(propan-2-yl)benzene (CID 11958980) is 2-bromo-1,4-di(propan-2-yl)benzene.
What is the SMILES notation for 2-bromo-1,4-di(propan-2-yl)benzene?
The canonical SMILES for 2-bromo-1,4-di(propan-2-yl)benzene is CC(C)c1ccc(C(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-1,4-di(propan-2-yl)benzene?
The InChIKey is KSFMKBVDTMONEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9H,1-4H3.
What are the key properties of 2-bromo-1,4-di(propan-2-yl)benzene?
2-bromo-1,4-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 2-bromo-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 11958980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).