5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene

C11H10BrClOS2 — CID 102765008

IUPAC5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
SMILESCOc1ccsc1C(Br)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H10BrClOS2/c1-6-5-8(16-11(6)13)9(12)10-7(14-2)3-4-15-10/h3-5,9H,1-2H3
InChIKeyKMZPUJABZIMNEY-UHFFFAOYSA-N
MW337.69 g/mol
LogP5.26
Rot. Bonds3

About 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene

5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene (PubChem CID 102765008) has the molecular formula C11H10BrClOS2 and a molecular weight of 337.69 g/mol. Its IUPAC name is 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
PubChem CID102765008
Molecular FormulaC11H10BrClOS2
Molecular Weight337.69 g/mol
Exact Mass335.90
IUPAC Name5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
SMILESCOc1ccsc1C(Br)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H10BrClOS2/c1-6-5-8(16-11(6)13)9(12)10-7(14-2)3-4-15-10/h3-5,9H,1-2H3
InChIKeyKMZPUJABZIMNEY-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.69
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764921
2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene
CID 81124929
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 83068073
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764930
2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80531860
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
2-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxythiophene
CID 81124391
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-chlorothiophene
CID 80642142
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 81124104

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene (CID 102765008) is 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene is COc1ccsc1C(Br)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The InChIKey is KMZPUJABZIMNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClOS2/c1-6-5-8(16-11(6)13)9(12)10-7(14-2)3-4-15-10/h3-5,9H,1-2H3.
What are the key properties of 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene has a molecular weight of 337.69 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102765008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).