1-bromo-2-butyl-3-ethenylbenzene

C12H15Br — CID 68743980

IUPAC1-bromo-2-butyl-3-ethenylbenzene
SMILESC=Cc1cccc(Br)c1CCCC
InChIInChI=1S/C12H15Br/c1-3-5-8-11-10(4-2)7-6-9-12(11)13/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyNRHCDRKWTSPZQF-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.43
Rot. Bonds4

About 1-bromo-2-butyl-3-ethenylbenzene

1-bromo-2-butyl-3-ethenylbenzene (PubChem CID 68743980) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-bromo-2-butyl-3-ethenylbenzene.

Molecular Properties

Compound Name1-bromo-2-butyl-3-ethenylbenzene
PubChem CID68743980
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-bromo-2-butyl-3-ethenylbenzene
SMILESC=Cc1cccc(Br)c1CCCC
InChIInChI=1S/C12H15Br/c1-3-5-8-11-10(4-2)7-6-9-12(11)13/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyNRHCDRKWTSPZQF-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-ethenyl-2-propylbenzene
CID 171086774
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1-ethenyl-2-methylbenzene;heptane
CID 173354339
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
1-ethenyl-3-fluoro-2-propylbenzene
CID 66613054
2,3-dibutyl-4-ethenylborinine
CID 174395436
1-bromo-2-(2-bromoethyl)-3-butylbenzene
CID 174607287
1-ethenyl-3-methyl-2-octoxybenzene
CID 174464142
1-ethenyl-2-pentylbenzene
CID 22171756
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
CID 142595555
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-butyl-3-ethenylbenzene?
The IUPAC name of 1-bromo-2-butyl-3-ethenylbenzene (CID 68743980) is 1-bromo-2-butyl-3-ethenylbenzene.
What is the SMILES notation for 1-bromo-2-butyl-3-ethenylbenzene?
The canonical SMILES for 1-bromo-2-butyl-3-ethenylbenzene is C=Cc1cccc(Br)c1CCCC.
What is the InChIKey of 1-bromo-2-butyl-3-ethenylbenzene?
The InChIKey is NRHCDRKWTSPZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-3-5-8-11-10(4-2)7-6-9-12(11)13/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 1-bromo-2-butyl-3-ethenylbenzene?
1-bromo-2-butyl-3-ethenylbenzene has a molecular weight of 239.16 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-butyl-3-ethenylbenzene is sourced from PubChem (CID 68743980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).