1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene

C11H12Br2 — CID 11012144

IUPAC1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene
SMILESCc1ccc(/C=C(\Br)CCBr)cc1
InChIInChI=1S/C11H12Br2/c1-9-2-4-10(5-3-9)8-11(13)6-7-12/h2-5,8H,6-7H2,1H3/b11-8-
InChIKeyJMUOSZNIAUFFEI-FLIBITNWSA-N
MW304.03 g/mol
LogP4.52
Rot. Bonds3

About 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene

1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene (PubChem CID 11012144) has the molecular formula C11H12Br2 and a molecular weight of 304.03 g/mol. Its IUPAC name is 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene
PubChem CID11012144
Molecular FormulaC11H12Br2
Molecular Weight304.03 g/mol
Exact Mass301.93
IUPAC Name1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene
SMILESCc1ccc(/C=C(\Br)CCBr)cc1
InChIInChI=1S/C11H12Br2/c1-9-2-4-10(5-3-9)8-11(13)6-7-12/h2-5,8H,6-7H2,1H3/b11-8-
InChIKeyJMUOSZNIAUFFEI-FLIBITNWSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 54.52
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

1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
trimethyl-[2-(4-methylphenyl)-1-trimethylsilylethenyl]silane
CID 14784450
(Z)-3-(bromomethyl)-4-(4-methylphenyl)but-3-en-2-one
CID 10923040
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene
CID 5382492
4-methyl-5-(4-methylphenyl)pent-4-en-1-ol
CID 67332507
2-(4-methylphenyl)-1-phosphanylethenol
CID 142187482
[(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane
CID 173489734
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
CID 166642881
(E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
CID 115028992

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene?
The IUPAC name of 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene (CID 11012144) is 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene?
The canonical SMILES for 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene is Cc1ccc(/C=C(\Br)CCBr)cc1.
What is the InChIKey of 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene?
The InChIKey is JMUOSZNIAUFFEI-FLIBITNWSA-N. The full InChI is InChI=1S/C11H12Br2/c1-9-2-4-10(5-3-9)8-11(13)6-7-12/h2-5,8H,6-7H2,1H3/b11-8-.
What are the key properties of 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene?
1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene has a molecular weight of 304.03 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene is sourced from PubChem (CID 11012144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).