1-bromo-3-ethenyl-2-propylbenzene

C11H13Br — CID 171086774

IUPAC1-bromo-3-ethenyl-2-propylbenzene
SMILESC=Cc1cccc(Br)c1CCC
InChIInChI=1S/C11H13Br/c1-3-6-10-9(4-2)7-5-8-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyJLGUDPNDCFILSJ-UHFFFAOYSA-N
MW225.13 g/mol
LogP4.04
Rot. Bonds3

About 1-bromo-3-ethenyl-2-propylbenzene

1-bromo-3-ethenyl-2-propylbenzene (PubChem CID 171086774) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is 1-bromo-3-ethenyl-2-propylbenzene.

Molecular Properties

Compound Name1-bromo-3-ethenyl-2-propylbenzene
PubChem CID171086774
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name1-bromo-3-ethenyl-2-propylbenzene
SMILESC=Cc1cccc(Br)c1CCC
InChIInChI=1S/C11H13Br/c1-3-6-10-9(4-2)7-5-8-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyJLGUDPNDCFILSJ-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-butyl-3-ethenylbenzene
CID 68743980
1-ethenyl-3-fluoro-2-propylbenzene
CID 66613054
CID 160937062
CID 160937062
1-bromo-3-(3-bromo-2-propylphenoxy)-2-propylbenzene
CID 172704493
1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
CID 142595555
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
3-bromo-2-propylbenzamide
CID 69458474
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene
CID 156747890
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethenyl-2-propylbenzene?
The IUPAC name of 1-bromo-3-ethenyl-2-propylbenzene (CID 171086774) is 1-bromo-3-ethenyl-2-propylbenzene.
What is the SMILES notation for 1-bromo-3-ethenyl-2-propylbenzene?
The canonical SMILES for 1-bromo-3-ethenyl-2-propylbenzene is C=Cc1cccc(Br)c1CCC.
What is the InChIKey of 1-bromo-3-ethenyl-2-propylbenzene?
The InChIKey is JLGUDPNDCFILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br/c1-3-6-10-9(4-2)7-5-8-11(10)12/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-bromo-3-ethenyl-2-propylbenzene?
1-bromo-3-ethenyl-2-propylbenzene has a molecular weight of 225.13 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethenyl-2-propylbenzene is sourced from PubChem (CID 171086774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).