3-chloro-6-iodo-1-benzothiophen-2-ol

C8H4ClIOS — CID 131119412

IUPAC3-chloro-6-iodo-1-benzothiophen-2-ol
SMILESOc1sc2cc(I)ccc2c1Cl
InChIInChI=1S/C8H4ClIOS/c9-7-5-2-1-4(10)3-6(5)12-8(7)11/h1-3,11H
InChIKeyMHYBGFICLHWABK-UHFFFAOYSA-N
MW310.54 g/mol
LogP3.86
Rot. Bonds

About 3-chloro-6-iodo-1-benzothiophen-2-ol

3-chloro-6-iodo-1-benzothiophen-2-ol (PubChem CID 131119412) has the molecular formula C8H4ClIOS and a molecular weight of 310.54 g/mol. Its IUPAC name is 3-chloro-6-iodo-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3-chloro-6-iodo-1-benzothiophen-2-ol
PubChem CID131119412
Molecular FormulaC8H4ClIOS
Molecular Weight310.54 g/mol
Exact Mass309.87
IUPAC Name3-chloro-6-iodo-1-benzothiophen-2-ol
SMILESOc1sc2cc(I)ccc2c1Cl
InChIInChI=1S/C8H4ClIOS/c9-7-5-2-1-4(10)3-6(5)12-8(7)11/h1-3,11H
InChIKeyMHYBGFICLHWABK-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-6-iodo-1-benzothiophen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-6-iodo-1-benzothiophen-2-ol
CID 131000547
3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
CID 130792316
3-bromo-2-chloro-6-iodo-1-benzothiophene
CID 130941860
3-iododibenzothiophene
CID 86150547
3,6-dichloro-2-iodo-1-benzothiophene
CID 131138112
3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 2214579
2-chloro-3,5-diiodo-1-benzothiophene
CID 130840891
(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol
CID 130942154
2-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131076549
6-iodo-3-methylsulfanyl-1-benzothiophen-2-amine
CID 130988040
6-(chloromethyl)-3-methyl-1-benzothiophen-2-ol
CID 130971138
3-chloro-2-iodo-6-nitro-1-benzothiophene
CID 130884305

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-iodo-1-benzothiophen-2-ol?
The IUPAC name of 3-chloro-6-iodo-1-benzothiophen-2-ol (CID 131119412) is 3-chloro-6-iodo-1-benzothiophen-2-ol.
What is the SMILES notation for 3-chloro-6-iodo-1-benzothiophen-2-ol?
The canonical SMILES for 3-chloro-6-iodo-1-benzothiophen-2-ol is Oc1sc2cc(I)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-iodo-1-benzothiophen-2-ol?
The InChIKey is MHYBGFICLHWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIOS/c9-7-5-2-1-4(10)3-6(5)12-8(7)11/h1-3,11H.
What are the key properties of 3-chloro-6-iodo-1-benzothiophen-2-ol?
3-chloro-6-iodo-1-benzothiophen-2-ol has a molecular weight of 310.54 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-iodo-1-benzothiophen-2-ol is sourced from PubChem (CID 131119412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).