4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene

C10H9Br2Cl — CID 170498473

IUPAC4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
SMILESClc1cc(Br)ccc1C=CCCBr
InChIInChI=1S/C10H9Br2Cl/c11-6-2-1-3-8-4-5-9(12)7-10(8)13/h1,3-5,7H,2,6H2
InChIKeyRWZIOMUORQPRSH-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.90
Rot. Bonds3

About 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene

4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene (PubChem CID 170498473) has the molecular formula C10H9Br2Cl and a molecular weight of 324.44 g/mol. Its IUPAC name is 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene.

Molecular Properties

Compound Name4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
PubChem CID170498473
Molecular FormulaC10H9Br2Cl
Molecular Weight324.44 g/mol
Exact Mass321.88
IUPAC Name4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
SMILESClc1cc(Br)ccc1C=CCCBr
InChIInChI=1S/C10H9Br2Cl/c11-6-2-1-3-8-4-5-9(12)7-10(8)13/h1,3-5,7H,2,6H2
InChIKeyRWZIOMUORQPRSH-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.90
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-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene
CID 10638478
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CID 170497500
1-[(E)-4-bromobut-1-enyl]-4-chloro-2-fluoro-3-methylbenzene
CID 130593466
(E)-3-(4-bromo-2-chlorophenyl)prop-2-enoic acid
CID 52982958
3-(4-bromobut-1-enyl)-2,6-dichloropyridine
CID 170497191
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
(E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide
CID 82779692
4-(2-chloro-4-methylphenyl)but-3-en-1-ol
CID 170476087
1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene
CID 170497258
5-bromo-4-(4-bromobut-1-enyl)-2-chloropyridine
CID 170498502
4-(4-bromobut-1-enyl)-2,3-dichloropyridine
CID 170498497
2-(4-bromobut-1-enyl)-5-fluoroaniline
CID 170497144

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene?
The IUPAC name of 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene (CID 170498473) is 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene.
What is the SMILES notation for 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene?
The canonical SMILES for 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene is Clc1cc(Br)ccc1C=CCCBr.
What is the InChIKey of 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene?
The InChIKey is RWZIOMUORQPRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2Cl/c11-6-2-1-3-8-4-5-9(12)7-10(8)13/h1,3-5,7H,2,6H2.
What are the key properties of 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene?
4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene has a molecular weight of 324.44 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene is sourced from PubChem (CID 170498473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).