1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene

C10H10BrCl — CID 82085965

IUPAC1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene
SMILESClCC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrCl/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1,3-7H,2,8H2/b3-1+
InChIKeyDQBORBHZYBZEMT-HNQUOIGGSA-N
MW245.55 g/mol
LogP4.09
Rot. Bonds3

About 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene

1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene (PubChem CID 82085965) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene
PubChem CID82085965
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene
SMILESClCC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrCl/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1,3-7H,2,8H2/b3-1+
InChIKeyDQBORBHZYBZEMT-HNQUOIGGSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 54.09
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-bromo-4-[(1E)-hexa-1,5-dienyl]benzene
CID 101128597
(E)-5-(4-bromophenyl)pent-4-en-1-ol
CID 125476548
(Z)-3-(4-bromophenyl)prop-2-en-1-amine
CID 124584834
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301
1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene
CID 170500180
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
(E)-6-(4-bromophenyl)hex-5-enoic acid
CID 14939379
1-(4-chlorobut-1-enyl)-4-propoxybenzene
CID 79604035
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596
2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
CID 170498696
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
2-[4-(4-chlorobut-1-enyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170500133

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene (CID 82085965) is 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene is ClCC/C=C/c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene?
The InChIKey is DQBORBHZYBZEMT-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H10BrCl/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1,3-7H,2,8H2/b3-1+.
What are the key properties of 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene?
1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene has a molecular weight of 245.55 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene is sourced from PubChem (CID 82085965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).