1-(4-bromobut-1-enyl)-2-ethylbenzene

C12H15Br — CID 170497012

IUPAC1-(4-bromobut-1-enyl)-2-ethylbenzene
SMILESCCc1ccccc1C=CCCBr
InChIInChI=1S/C12H15Br/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-5,7-9H,2,6,10H2,1H3
InChIKeyAEPDDEGDSNEJFH-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.05
Rot. Bonds4

About 1-(4-bromobut-1-enyl)-2-ethylbenzene

1-(4-bromobut-1-enyl)-2-ethylbenzene (PubChem CID 170497012) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-(4-bromobut-1-enyl)-2-ethylbenzene.

Molecular Properties

Compound Name1-(4-bromobut-1-enyl)-2-ethylbenzene
PubChem CID170497012
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-(4-bromobut-1-enyl)-2-ethylbenzene
SMILESCCc1ccccc1C=CCCBr
InChIInChI=1S/C12H15Br/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-5,7-9H,2,6,10H2,1H3
InChIKeyAEPDDEGDSNEJFH-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
2-(4-bromobut-1-enyl)benzenethiol
CID 170496899
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
4-[2-(bromomethyl)phenyl]but-3-ene-1-thiol
CID 170479363
2-(4-bromobut-1-enyl)benzenesulfonic acid
CID 170498536
2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
CID 54435957
1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
CID 102216000
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine
CID 170497535
1-[(E)-4-bromobut-1-enyl]-2-(2-methoxyethoxy)benzene
CID 104663298
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobut-1-enyl)-2-ethylbenzene?
The IUPAC name of 1-(4-bromobut-1-enyl)-2-ethylbenzene (CID 170497012) is 1-(4-bromobut-1-enyl)-2-ethylbenzene.
What is the SMILES notation for 1-(4-bromobut-1-enyl)-2-ethylbenzene?
The canonical SMILES for 1-(4-bromobut-1-enyl)-2-ethylbenzene is CCc1ccccc1C=CCCBr.
What is the InChIKey of 1-(4-bromobut-1-enyl)-2-ethylbenzene?
The InChIKey is AEPDDEGDSNEJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-5,7-9H,2,6,10H2,1H3.
What are the key properties of 1-(4-bromobut-1-enyl)-2-ethylbenzene?
1-(4-bromobut-1-enyl)-2-ethylbenzene has a molecular weight of 239.16 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobut-1-enyl)-2-ethylbenzene is sourced from PubChem (CID 170497012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).