2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene

C13H11Br2ClS — CID 79435351

IUPAC2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
SMILESClCC(Cc1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C13H11Br2ClS/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-6,10H,7-8H2
InChIKeyGQGAWNXGRIMSRS-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.84
Rot. Bonds4

About 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene

2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene (PubChem CID 79435351) has the molecular formula C13H11Br2ClS and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
PubChem CID79435351
Molecular FormulaC13H11Br2ClS
Molecular Weight394.56 g/mol
Exact Mass391.86
IUPAC Name2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
SMILESClCC(Cc1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C13H11Br2ClS/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-6,10H,7-8H2
InChIKeyGQGAWNXGRIMSRS-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene 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

2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
CID 79437810
4-bromo-2-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79434241
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
CID 79454547
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
2-[3-bromo-2-(4-bromophenyl)propyl]-5-chlorothiophene
CID 79434777
3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79441567
2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
CID 66043259
1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
2-[2-(4-bromophenyl)-3-chloropropyl]-1,4-dimethylbenzene
CID 79434130
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene?
The IUPAC name of 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene (CID 79435351) is 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene.
What is the SMILES notation for 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene?
The canonical SMILES for 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene is ClCC(Cc1ccc(Br)s1)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene?
The InChIKey is GQGAWNXGRIMSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClS/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-6,10H,7-8H2.
What are the key properties of 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene?
2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene has a molecular weight of 394.56 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene is sourced from PubChem (CID 79435351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).