1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene

C10H9BrCl2 — CID 79323836

IUPAC1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene
SMILESCC(=Cc1cc(Cl)cc(Cl)c1)CBr
InChIInChI=1S/C10H9BrCl2/c1-7(6-11)2-8-3-9(12)5-10(13)4-8/h2-5H,6H2,1H3
InChIKeyYJBDKQRMGPLVDJ-UHFFFAOYSA-N
MW279.99 g/mol
LogP4.79
Rot. Bonds2

About 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene

1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene (PubChem CID 79323836) has the molecular formula C10H9BrCl2 and a molecular weight of 279.99 g/mol. Its IUPAC name is 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene
PubChem CID79323836
Molecular FormulaC10H9BrCl2
Molecular Weight279.99 g/mol
Exact Mass277.93
IUPAC Name1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene
SMILESCC(=Cc1cc(Cl)cc(Cl)c1)CBr
InChIInChI=1S/C10H9BrCl2/c1-7(6-11)2-8-3-9(12)5-10(13)4-8/h2-5H,6H2,1H3
InChIKeyYJBDKQRMGPLVDJ-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.99
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene?
The IUPAC name of 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene (CID 79323836) is 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene.
What is the SMILES notation for 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene?
The canonical SMILES for 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene is CC(=Cc1cc(Cl)cc(Cl)c1)CBr.
What is the InChIKey of 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene?
The InChIKey is YJBDKQRMGPLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2/c1-7(6-11)2-8-3-9(12)5-10(13)4-8/h2-5H,6H2,1H3.
What are the key properties of 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene?
1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene has a molecular weight of 279.99 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene is sourced from PubChem (CID 79323836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).