6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene

C10H8BrClOS — CID 130878439

IUPAC6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene
SMILESCOc1cc2ccc(Br)c(CCl)c2s1
InChIInChI=1S/C10H8BrClOS/c1-13-9-4-6-2-3-8(11)7(5-12)10(6)14-9/h2-4H,5H2,1H3
InChIKeyLLCHXVVOYPZOKL-UHFFFAOYSA-N
MW291.60 g/mol
LogP4.41
Rot. Bonds2

About 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene

6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene (PubChem CID 130878439) has the molecular formula C10H8BrClOS and a molecular weight of 291.60 g/mol. Its IUPAC name is 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene
PubChem CID130878439
Molecular FormulaC10H8BrClOS
Molecular Weight291.60 g/mol
Exact Mass289.92
IUPAC Name6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene
SMILESCOc1cc2ccc(Br)c(CCl)c2s1
InChIInChI=1S/C10H8BrClOS/c1-13-9-4-6-2-3-8(11)7(5-12)10(6)14-9/h2-4H,5H2,1H3
InChIKeyLLCHXVVOYPZOKL-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene?
The IUPAC name of 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene (CID 130878439) is 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene.
What is the SMILES notation for 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene?
The canonical SMILES for 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene is COc1cc2ccc(Br)c(CCl)c2s1.
What is the InChIKey of 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene?
The InChIKey is LLCHXVVOYPZOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS/c1-13-9-4-6-2-3-8(11)7(5-12)10(6)14-9/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene?
6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene has a molecular weight of 291.60 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene is sourced from PubChem (CID 130878439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).