2-bromo-1-ethyl-4-propylbenzene

C11H15Br — CID 67149961

IUPAC2-bromo-1-ethyl-4-propylbenzene
SMILESCCCc1ccc(CC)c(Br)c1
InChIInChI=1S/C11H15Br/c1-3-5-9-6-7-10(4-2)11(12)8-9/h6-8H,3-5H2,1-2H3
InChIKeyXIWAMCHWKDGRPT-UHFFFAOYSA-N
MW227.14 g/mol
LogP3.96
Rot. Bonds3

About 2-bromo-1-ethyl-4-propylbenzene

2-bromo-1-ethyl-4-propylbenzene (PubChem CID 67149961) has the molecular formula C11H15Br and a molecular weight of 227.14 g/mol. Its IUPAC name is 2-bromo-1-ethyl-4-propylbenzene.

Molecular Properties

Compound Name2-bromo-1-ethyl-4-propylbenzene
PubChem CID67149961
Molecular FormulaC11H15Br
Molecular Weight227.14 g/mol
Exact Mass226.04
IUPAC Name2-bromo-1-ethyl-4-propylbenzene
SMILESCCCc1ccc(CC)c(Br)c1
InChIInChI=1S/C11H15Br/c1-3-5-9-6-7-10(4-2)11(12)8-9/h6-8H,3-5H2,1-2H3
InChIKeyXIWAMCHWKDGRPT-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-diethyl-4-propylbenzene
CID 54363919
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
2-ethyl-5-propylphenol
CID 522454
O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine
CID 130051996
3-bromo-4-ethylbenzenethiol
CID 91873957
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
3-(3-bromo-4-ethylphenyl)-2-methylpropane-1-thiol
CID 83921609
2-bromo-1-ethyl-4-isocyanobenzene
CID 140644993
2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene
CID 83921681
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
2,5-dipropylbenzoic acid
CID 139904729
2-bromo-1-ethyl-4-methylsulfanylbenzene
CID 91880744

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-4-propylbenzene?
The IUPAC name of 2-bromo-1-ethyl-4-propylbenzene (CID 67149961) is 2-bromo-1-ethyl-4-propylbenzene.
What is the SMILES notation for 2-bromo-1-ethyl-4-propylbenzene?
The canonical SMILES for 2-bromo-1-ethyl-4-propylbenzene is CCCc1ccc(CC)c(Br)c1.
What is the InChIKey of 2-bromo-1-ethyl-4-propylbenzene?
The InChIKey is XIWAMCHWKDGRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br/c1-3-5-9-6-7-10(4-2)11(12)8-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-bromo-1-ethyl-4-propylbenzene?
2-bromo-1-ethyl-4-propylbenzene has a molecular weight of 227.14 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-4-propylbenzene is sourced from PubChem (CID 67149961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).