1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene

C12H13BrCl2 — CID 10638478

IUPAC1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene
SMILESClc1ccc(/C=C/CCCCBr)c(Cl)c1
InChIInChI=1S/C12H13BrCl2/c13-8-4-2-1-3-5-10-6-7-11(14)9-12(10)15/h3,5-7,9H,1-2,4,8H2/b5-3+
InChIKeyLAOADPYAAVXCSG-HWKANZROSA-N
MW308.05 g/mol
LogP5.57
Rot. Bonds5

About 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene

1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene (PubChem CID 10638478) has the molecular formula C12H13BrCl2 and a molecular weight of 308.05 g/mol. Its IUPAC name is 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene
PubChem CID10638478
Molecular FormulaC12H13BrCl2
Molecular Weight308.05 g/mol
Exact Mass305.96
IUPAC Name1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene
SMILESClc1ccc(/C=C/CCCCBr)c(Cl)c1
InChIInChI=1S/C12H13BrCl2/c13-8-4-2-1-3-5-10-6-7-11(14)9-12(10)15/h3,5-7,9H,1-2,4,8H2/b5-3+
InChIKeyLAOADPYAAVXCSG-HWKANZROSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.05
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-6-(2,4-dichlorophenyl)hex-5-ene-1-thiol
CID 10563343
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
CID 170498473
(E)-4-(2,4-dichlorophenyl)but-3-enal
CID 87333771
2,4-dichloro-1-(2-chloroethenyl)benzene
CID 609851
[(E)-6-bromohex-1-enyl]benzene
CID 11172477
3-(2,4-dichlorophenyl)prop-2-enyl formate
CID 90884165
2,4-dichloro-1-[2-[2-(2,4-dichlorophenyl)ethenoxy]ethenyl]benzene
CID 139944429
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene
CID 170497258
3-(2,4-dichlorophenyl)prop-2-enal
CID 4193011
4-(4-bromobut-1-enyl)-5-chloro-2-fluoroaniline
CID 170497500

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene (CID 10638478) is 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene is Clc1ccc(/C=C/CCCCBr)c(Cl)c1.
What is the InChIKey of 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene?
The InChIKey is LAOADPYAAVXCSG-HWKANZROSA-N. The full InChI is InChI=1S/C12H13BrCl2/c13-8-4-2-1-3-5-10-6-7-11(14)9-12(10)15/h3,5-7,9H,1-2,4,8H2/b5-3+.
What are the key properties of 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene?
1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene has a molecular weight of 308.05 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene is sourced from PubChem (CID 10638478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).