7-iodo-6-methyl-1-benzothiophen-2-ol

C9H7IOS — CID 130870307

IUPAC7-iodo-6-methyl-1-benzothiophen-2-ol
SMILESCc1ccc2cc(O)sc2c1I
InChIInChI=1S/C9H7IOS/c1-5-2-3-6-4-7(11)12-9(6)8(5)10/h2-4,11H,1H3
InChIKeyCGZFZFPJAUQQCY-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.52
Rot. Bonds

About 7-iodo-6-methyl-1-benzothiophen-2-ol

7-iodo-6-methyl-1-benzothiophen-2-ol (PubChem CID 130870307) has the molecular formula C9H7IOS and a molecular weight of 290.13 g/mol. Its IUPAC name is 7-iodo-6-methyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name7-iodo-6-methyl-1-benzothiophen-2-ol
PubChem CID130870307
Molecular FormulaC9H7IOS
Molecular Weight290.13 g/mol
Exact Mass289.93
IUPAC Name7-iodo-6-methyl-1-benzothiophen-2-ol
SMILESCc1ccc2cc(O)sc2c1I
InChIInChI=1S/C9H7IOS/c1-5-2-3-6-4-7(11)12-9(6)8(5)10/h2-4,11H,1H3
InChIKeyCGZFZFPJAUQQCY-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.52
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

7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821607
2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde
CID 130870877
7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid
CID 131034306
(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol
CID 131124401
7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol
CID 130789001
6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile
CID 131190958
7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol
CID 130955566
7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid
CID 121413599
2-hydroxy-7-sulfanyl-1-benzothiophene-6-carbonitrile
CID 130805811
2,7-diiodo-6-methoxy-1-benzothiophene
CID 131215410
2-bromo-6,7-diiodo-1-benzothiophene
CID 131138066
2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid
CID 131196595

Frequently Asked Questions

What is the IUPAC name of 7-iodo-6-methyl-1-benzothiophen-2-ol?
The IUPAC name of 7-iodo-6-methyl-1-benzothiophen-2-ol (CID 130870307) is 7-iodo-6-methyl-1-benzothiophen-2-ol.
What is the SMILES notation for 7-iodo-6-methyl-1-benzothiophen-2-ol?
The canonical SMILES for 7-iodo-6-methyl-1-benzothiophen-2-ol is Cc1ccc2cc(O)sc2c1I.
What is the InChIKey of 7-iodo-6-methyl-1-benzothiophen-2-ol?
The InChIKey is CGZFZFPJAUQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IOS/c1-5-2-3-6-4-7(11)12-9(6)8(5)10/h2-4,11H,1H3.
What are the key properties of 7-iodo-6-methyl-1-benzothiophen-2-ol?
7-iodo-6-methyl-1-benzothiophen-2-ol has a molecular weight of 290.13 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-6-methyl-1-benzothiophen-2-ol is sourced from PubChem (CID 130870307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).