5-bromo-3-iodo-1-benzothiophen-4-ol

C8H4BrIOS — CID 130901172

IUPAC5-bromo-3-iodo-1-benzothiophen-4-ol
SMILESOc1c(Br)ccc2scc(I)c12
InChIInChI=1S/C8H4BrIOS/c9-4-1-2-6-7(8(4)11)5(10)3-12-6/h1-3,11H
InChIKeyDYVMLEHYUBGTJE-UHFFFAOYSA-N
MW354.99 g/mol
LogP3.97
Rot. Bonds

About 5-bromo-3-iodo-1-benzothiophen-4-ol

5-bromo-3-iodo-1-benzothiophen-4-ol (PubChem CID 130901172) has the molecular formula C8H4BrIOS and a molecular weight of 354.99 g/mol. Its IUPAC name is 5-bromo-3-iodo-1-benzothiophen-4-ol.

Molecular Properties

Compound Name5-bromo-3-iodo-1-benzothiophen-4-ol
PubChem CID130901172
Molecular FormulaC8H4BrIOS
Molecular Weight354.99 g/mol
Exact Mass353.82
IUPAC Name5-bromo-3-iodo-1-benzothiophen-4-ol
SMILESOc1c(Br)ccc2scc(I)c12
InChIInChI=1S/C8H4BrIOS/c9-4-1-2-6-7(8(4)11)5(10)3-12-6/h1-3,11H
InChIKeyDYVMLEHYUBGTJE-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.99
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-1-benzothiophen-4-ol
CID 131138178
4-bromo-3-iodo-1-benzothiophene
CID 102452522
4-bromo-3-iodo-1-benzothiophene-5-carbonitrile
CID 131096826
3-bromo-4-(bromomethyl)-5-iodo-1-benzothiophene
CID 130821086
5-bromo-3-(bromomethyl)-4-iodo-1-benzothiophene
CID 130901201
3-bromo-5-methoxy-1-benzothiophen-4-ol
CID 131034350
3-iodo-1-benzothiophene-4-carbonitrile
CID 176569113
5-ethyl-4-fluoro-3-iodo-1-benzothiophene
CID 130870716
2-bromonaphthalene-1,8-diol
CID 23297382
5-fluoro-4-iodo-1-benzothiophen-3-ol
CID 131057300
4-bromo-3-methyl-1-benzothiophen-5-ol
CID 131096785
3-bromo-4,5-dimethyl-1-benzothiophene
CID 82387657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-1-benzothiophen-4-ol?
The IUPAC name of 5-bromo-3-iodo-1-benzothiophen-4-ol (CID 130901172) is 5-bromo-3-iodo-1-benzothiophen-4-ol.
What is the SMILES notation for 5-bromo-3-iodo-1-benzothiophen-4-ol?
The canonical SMILES for 5-bromo-3-iodo-1-benzothiophen-4-ol is Oc1c(Br)ccc2scc(I)c12.
What is the InChIKey of 5-bromo-3-iodo-1-benzothiophen-4-ol?
The InChIKey is DYVMLEHYUBGTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrIOS/c9-4-1-2-6-7(8(4)11)5(10)3-12-6/h1-3,11H.
What are the key properties of 5-bromo-3-iodo-1-benzothiophen-4-ol?
5-bromo-3-iodo-1-benzothiophen-4-ol has a molecular weight of 354.99 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodo-1-benzothiophen-4-ol is sourced from PubChem (CID 130901172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).