1-bromo-2-ethylbenzene

C8H9Br — CID 16089

IUPAC1-bromo-2-ethylbenzene
SMILESCCc1ccccc1Br
InChIInChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKeyHVRUGFJYCAFAAN-UHFFFAOYSA-N
MW185.06 g/mol
LogP3.01
Rot. Bonds1

About 1-bromo-2-ethylbenzene

1-bromo-2-ethylbenzene (PubChem CID 16089) has the molecular formula C8H9Br and a molecular weight of 185.06 g/mol. Its IUPAC name is 1-bromo-2-ethylbenzene.

Molecular Properties

Compound Name1-bromo-2-ethylbenzene
PubChem CID16089
Molecular FormulaC8H9Br
Molecular Weight185.06 g/mol
Exact Mass183.99
IUPAC Name1-bromo-2-ethylbenzene
SMILESCCc1ccccc1Br
InChIInChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKeyHVRUGFJYCAFAAN-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

2-Bromotoluene
CID 7236
4-Bromotoluene
CID 7805
3-Bromotoluene
CID 11560
Phenethyl bromide
CID 7666
4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
p-Xylyl bromide
CID 7721
2,2'-Dibromobiphenyl
CID 83060
o-Xylyl bromide
CID 6992
4-Bromobenzyl bromide
CID 68527
(1,2-Dibromoethyl)benzene
CID 7145
(1-Bromoethyl)benzene
CID 11454

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethylbenzene?
The IUPAC name of 1-bromo-2-ethylbenzene (CID 16089) is 1-bromo-2-ethylbenzene.
What is the SMILES notation for 1-bromo-2-ethylbenzene?
The canonical SMILES for 1-bromo-2-ethylbenzene is CCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-ethylbenzene?
The InChIKey is HVRUGFJYCAFAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3.
What are the key properties of 1-bromo-2-ethylbenzene?
1-bromo-2-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-2-ethylbenzene is sourced from PubChem (CID 16089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).