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

C10H8BrClOS — CID 131030911

IUPAC6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene
SMILESCOc1c(Br)ccc2cc(CCl)sc12
InChIInChI=1S/C10H8BrClOS/c1-13-9-8(11)3-2-6-4-7(5-12)14-10(6)9/h2-4H,5H2,1H3
InChIKeyHOMJFYQGOGAIIW-UHFFFAOYSA-N
MW291.60 g/mol
LogP4.41
Rot. Bonds2

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

6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene (PubChem CID 131030911) has the molecular formula C10H8BrClOS and a molecular weight of 291.60 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene
PubChem CID131030911
Molecular FormulaC10H8BrClOS
Molecular Weight291.60 g/mol
Exact Mass289.92
IUPAC Name6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene
SMILESCOc1c(Br)ccc2cc(CCl)sc12
InChIInChI=1S/C10H8BrClOS/c1-13-9-8(11)3-2-6-4-7(5-12)14-10(6)9/h2-4H,5H2,1H3
InChIKeyHOMJFYQGOGAIIW-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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Related Compounds

6-bromo-2-fluoro-7-methoxy-1-benzothiophene
CID 131119207
6-bromo-2-(chloromethyl)-7-ethyl-1-benzothiophene
CID 131215592
6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130878439
methyl 6-bromo-7-methoxy-1-benzothiophene-2-carboxylate
CID 121413713
2-ethyl-7-methoxy-1-benzothiophen-6-ol
CID 131057609
7-bromo-2-(chloromethyl)-4-ethyl-1-benzothiophene
CID 130839660
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
2-(chloromethyl)-7-iodo-6-methylsulfanyl-1-benzothiophene
CID 130870721
7-amino-2-(chloromethyl)-1-benzothiophen-6-ol
CID 130803179
7-bromo-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130821104
1-bromo-4-(chloromethyl)-3-iodo-2-methoxybenzene
CID 171010289
7-bromo-2-(chloromethyl)-1-benzothiophene-5-carbonitrile
CID 130816528

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene?
The IUPAC name of 6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene (CID 131030911) is 6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene?
The canonical SMILES for 6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene is COc1c(Br)ccc2cc(CCl)sc12.
What is the InChIKey of 6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene?
The InChIKey is HOMJFYQGOGAIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS/c1-13-9-8(11)3-2-6-4-7(5-12)14-10(6)9/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene?
6-bromo-2-(chloromethyl)-7-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-2-(chloromethyl)-7-methoxy-1-benzothiophene is sourced from PubChem (CID 131030911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).