2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene

C13H11BrCl2S — CID 79997119

IUPAC2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)Cc2cccc(Cl)c2)sc1Br
InChIInChI=1S/C13H11BrCl2S/c1-8-5-12(17-13(8)14)11(16)7-9-3-2-4-10(15)6-9/h2-6,11H,7H2,1H3
InChIKeyOXDJMGMZYCNIDO-UHFFFAOYSA-N
MW350.11 g/mol
LogP6.00
Rot. Bonds3

About 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene

2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene (PubChem CID 79997119) has the molecular formula C13H11BrCl2S and a molecular weight of 350.11 g/mol. Its IUPAC name is 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
PubChem CID79997119
Molecular FormulaC13H11BrCl2S
Molecular Weight350.11 g/mol
Exact Mass347.91
IUPAC Name2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)Cc2cccc(Cl)c2)sc1Br
InChIInChI=1S/C13H11BrCl2S/c1-8-5-12(17-13(8)14)11(16)7-9-3-2-4-10(15)6-9/h2-6,11H,7H2,1H3
InChIKeyOXDJMGMZYCNIDO-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.11
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 102836654
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
CID 79996948
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
CID 79996774
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 80531010
3-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 63799658
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332
2-bromo-3-chloro-5-[1-chloro-2-(4-chlorophenyl)ethyl]thiophene
CID 80533733
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 80533591
2-bromo-5-[1-bromo-2-(3-methoxyphenyl)ethyl]-3-methylthiophene
CID 79996690
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene?
The IUPAC name of 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene (CID 79997119) is 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene?
The canonical SMILES for 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene is Cc1cc(C(Cl)Cc2cccc(Cl)c2)sc1Br.
What is the InChIKey of 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene?
The InChIKey is OXDJMGMZYCNIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2S/c1-8-5-12(17-13(8)14)11(16)7-9-3-2-4-10(15)6-9/h2-6,11H,7H2,1H3.
What are the key properties of 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene?
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene has a molecular weight of 350.11 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene is sourced from PubChem (CID 79997119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).