1-bromo-4-propan-2-ylbenzene

C9H11Br — CID 11462

IUPAC1-bromo-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Br)cc1
InChIInChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKeyMOZHUOIQYVYEPN-UHFFFAOYSA-N
MW199.09 g/mol
LogP3.57
Rot. Bonds1

About 1-bromo-4-propan-2-ylbenzene

1-bromo-4-propan-2-ylbenzene (PubChem CID 11462) has the molecular formula C9H11Br and a molecular weight of 199.09 g/mol. Its IUPAC name is 1-bromo-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-4-propan-2-ylbenzene
PubChem CID11462
Molecular FormulaC9H11Br
Molecular Weight199.09 g/mol
Exact Mass198.00
IUPAC Name1-bromo-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Br)cc1
InChIInChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKeyMOZHUOIQYVYEPN-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromotoluene
CID 7236
4-Bromotoluene
CID 7805
3-Bromotoluene
CID 11560
4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
4,4'-Dibromobiphenyl
CID 7110
2,2'-Dibromobiphenyl
CID 83060
4-Bromobenzyl bromide
CID 68527
(1-Bromoethyl)benzene
CID 11454
2-Bromobiphenyl
CID 16329
3,3'-Dibromobiphenyl
CID 153987
3,4',5-Tribromobiphenyl
CID 155722

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-propan-2-ylbenzene?
The IUPAC name of 1-bromo-4-propan-2-ylbenzene (CID 11462) is 1-bromo-4-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-4-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-4-propan-2-ylbenzene is CC(C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-propan-2-ylbenzene?
The InChIKey is MOZHUOIQYVYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3.
What are the key properties of 1-bromo-4-propan-2-ylbenzene?
1-bromo-4-propan-2-ylbenzene has a molecular weight of 199.09 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-propan-2-ylbenzene is sourced from PubChem (CID 11462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).