1-bromo-4-ethylbenzene

C8H9Br — CID 15313

IUPAC1-bromo-4-ethylbenzene
SMILESCCc1ccc(Br)cc1
InChIInChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKeyURFPRAHGGBYNPW-UHFFFAOYSA-N
MW185.06 g/mol
LogP3.01
Rot. Bonds1

About 1-bromo-4-ethylbenzene

1-bromo-4-ethylbenzene (PubChem CID 15313) has the molecular formula C8H9Br and a molecular weight of 185.06 g/mol. Its IUPAC name is 1-bromo-4-ethylbenzene.

Molecular Properties

Compound Name1-bromo-4-ethylbenzene
PubChem CID15313
Molecular FormulaC8H9Br
Molecular Weight185.06 g/mol
Exact Mass183.99
IUPAC Name1-bromo-4-ethylbenzene
SMILESCCc1ccc(Br)cc1
InChIInChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKeyURFPRAHGGBYNPW-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-ethylbenzene;N-methylmethanamine
CID 143984882
1-bromo-4-ethylbenzene;phenol
CID 174859623
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
1,4-diethylbenzene;ethane;methane
CID 166131756
2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol
CID 79445511
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1,4-diethylbenzene;oxoalumane
CID 174317758
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethylbenzene?
The IUPAC name of 1-bromo-4-ethylbenzene (CID 15313) is 1-bromo-4-ethylbenzene.
What is the SMILES notation for 1-bromo-4-ethylbenzene?
The canonical SMILES for 1-bromo-4-ethylbenzene is CCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-ethylbenzene?
The InChIKey is URFPRAHGGBYNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3.
What are the key properties of 1-bromo-4-ethylbenzene?
1-bromo-4-ethylbenzene has a molecular weight of 185.06 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethylbenzene is sourced from PubChem (CID 15313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).