5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene

C13H11BrCl2S — CID 107983647

IUPAC5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Cl)c2cccc(C)c2Br)sc1Cl
InChIInChI=1S/C13H11BrCl2S/c1-7-4-3-5-9(11(7)14)12(15)10-6-8(2)13(16)17-10/h3-6,12H,1-2H3
InChIKeyQJSSQBNDCPGXLV-UHFFFAOYSA-N
MW350.11 g/mol
LogP6.11
Rot. Bonds2

About 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene

5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene (PubChem CID 107983647) has the molecular formula C13H11BrCl2S and a molecular weight of 350.11 g/mol. Its IUPAC name is 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
PubChem CID107983647
Molecular FormulaC13H11BrCl2S
Molecular Weight350.11 g/mol
Exact Mass347.91
IUPAC Name5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Cl)c2cccc(C)c2Br)sc1Cl
InChIInChI=1S/C13H11BrCl2S/c1-7-4-3-5-9(11(7)14)12(15)10-6-8(2)13(16)17-10/h3-6,12H,1-2H3
InChIKeyQJSSQBNDCPGXLV-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.11
LogP ≤ 56.11
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

2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764693
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800
N-[(2-bromo-3-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 107982142
3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
CID 102836292
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
CID 102764699
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836447
3-[(2-bromo-3-methylphenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107983453
(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107981848
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 102764769

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene (CID 107983647) is 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene is Cc1cc(C(Cl)c2cccc(C)c2Br)sc1Cl.
What is the InChIKey of 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene?
The InChIKey is QJSSQBNDCPGXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2S/c1-7-4-3-5-9(11(7)14)12(15)10-6-8(2)13(16)17-10/h3-6,12H,1-2H3.
What are the key properties of 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene?
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene has a molecular weight of 350.11 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 107983647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).