6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene

C10H8BrIOS — CID 130855156

IUPAC6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
SMILESCOc1cc2ccsc2c(I)c1CBr
InChIInChI=1S/C10H8BrIOS/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4H,5H2,1H3
InChIKeyHIJULVAGAYLHDK-UHFFFAOYSA-N
MW383.05 g/mol
LogP4.41
Rot. Bonds2

About 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene

6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene (PubChem CID 130855156) has the molecular formula C10H8BrIOS and a molecular weight of 383.05 g/mol. Its IUPAC name is 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
PubChem CID130855156
Molecular FormulaC10H8BrIOS
Molecular Weight383.05 g/mol
Exact Mass381.85
IUPAC Name6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
SMILESCOc1cc2ccsc2c(I)c1CBr
InChIInChI=1S/C10H8BrIOS/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4H,5H2,1H3
InChIKeyHIJULVAGAYLHDK-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 ≤ 500383.05
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene
CID 131219142
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
5-(bromomethyl)-7-iodo-1-benzothiophene-6-thiol
CID 130956690
(7-methoxy-1-benzothiophen-5-yl)methanamine
CID 130050630
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
5-ethoxy-7-iodo-1-benzothiophene-6-thiol
CID 130988096
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
CID 130956494
5-(chloromethyl)-7-methoxy-1-benzothiophene
CID 130050629
(7-methoxy-1-benzothiophen-5-yl)methanol
CID 130050628
5-(chloromethyl)-7-iodo-6-methyl-1-benzothiophene
CID 131002195
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
5-bromo-7-(bromomethyl)-6-methylsulfanyl-1-benzothiophene
CID 130788892

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene?
The IUPAC name of 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene (CID 130855156) is 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene.
What is the SMILES notation for 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene?
The canonical SMILES for 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene is COc1cc2ccsc2c(I)c1CBr.
What is the InChIKey of 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene?
The InChIKey is HIJULVAGAYLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrIOS/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4H,5H2,1H3.
What are the key properties of 6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene?
6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene has a molecular weight of 383.05 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-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene is sourced from PubChem (CID 130855156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).