1-bromo-4-ethenylbenzene;ethane

C10H13Br — CID 144688744

IUPAC1-bromo-4-ethenylbenzene;ethane
SMILESC=Cc1ccc(Br)cc1.CC
InChIInChI=1S/C8H7Br.C2H6/c1-2-7-3-5-8(9)6-4-7;1-2/h2-6H,1H2;1-2H3
InChIKeyZQJMEEDZAAKBAZ-UHFFFAOYSA-N
MW213.12 g/mol
LogP4.12
Rot. Bonds1

About 1-bromo-4-ethenylbenzene;ethane

1-bromo-4-ethenylbenzene;ethane (PubChem CID 144688744) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 1-bromo-4-ethenylbenzene;ethane.

Molecular Properties

Compound Name1-bromo-4-ethenylbenzene;ethane
PubChem CID144688744
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name1-bromo-4-ethenylbenzene;ethane
SMILESC=Cc1ccc(Br)cc1.CC
InChIInChI=1S/C8H7Br.C2H6/c1-2-7-3-5-8(9)6-4-7;1-2/h2-6H,1H2;1-2H3
InChIKeyZQJMEEDZAAKBAZ-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-ethenylbenzene;formic acid
CID 175935550
dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide
CID 160591492
1-bromo-4-ethenylbenzene;prop-2-enylbenzene
CID 162084429
ethane;1-ethenyl-4-fluorobenzene
CID 143529924
benzene;ethane;styrene
CID 21219610
ethane;ethene;4-ethenylphenol
CID 178000559
(4-bromophenyl) 4-ethenylbenzoate
CID 102322748
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889
1-tert-butyl-4-ethenylbenzene
CID 15627
1-ethenyl-4-methylbenzene;methanamine
CID 23466173

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethenylbenzene;ethane?
The IUPAC name of 1-bromo-4-ethenylbenzene;ethane (CID 144688744) is 1-bromo-4-ethenylbenzene;ethane.
What is the SMILES notation for 1-bromo-4-ethenylbenzene;ethane?
The canonical SMILES for 1-bromo-4-ethenylbenzene;ethane is C=Cc1ccc(Br)cc1.CC.
What is the InChIKey of 1-bromo-4-ethenylbenzene;ethane?
The InChIKey is ZQJMEEDZAAKBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br.C2H6/c1-2-7-3-5-8(9)6-4-7;1-2/h2-6H,1H2;1-2H3.
What are the key properties of 1-bromo-4-ethenylbenzene;ethane?
1-bromo-4-ethenylbenzene;ethane has a molecular weight of 213.12 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethenylbenzene;ethane is sourced from PubChem (CID 144688744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).