4-iodo-3-methoxy-6-methyl-1-benzothiophene

C10H9IOS — CID 130941722

IUPAC4-iodo-3-methoxy-6-methyl-1-benzothiophene
SMILESCOc1csc2cc(C)cc(I)c12
InChIInChI=1S/C10H9IOS/c1-6-3-7(11)10-8(12-2)5-13-9(10)4-6/h3-5H,1-2H3
InChIKeyJSYZMGAURBHFEF-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.82
Rot. Bonds1

About 4-iodo-3-methoxy-6-methyl-1-benzothiophene

4-iodo-3-methoxy-6-methyl-1-benzothiophene (PubChem CID 130941722) has the molecular formula C10H9IOS and a molecular weight of 304.15 g/mol. Its IUPAC name is 4-iodo-3-methoxy-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-iodo-3-methoxy-6-methyl-1-benzothiophene
PubChem CID130941722
Molecular FormulaC10H9IOS
Molecular Weight304.15 g/mol
Exact Mass303.94
IUPAC Name4-iodo-3-methoxy-6-methyl-1-benzothiophene
SMILESCOc1csc2cc(C)cc(I)c12
InChIInChI=1S/C10H9IOS/c1-6-3-7(11)10-8(12-2)5-13-9(10)4-6/h3-5H,1-2H3
InChIKeyJSYZMGAURBHFEF-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-3,4-dimethoxy-1-benzothiophene
CID 131053482
(3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol
CID 130985890
6-chloro-3-methoxy-1-benzothiophen-4-ol
CID 130970027
2-iodo-6-methoxy-4-methylbenzenethiol
CID 171012224
2-fluoro-1-iodo-3-methoxy-5-methylbenzene
CID 67684213
3,4,6-trimethyl-1-benzothiophene
CID 20824554
4,6-diiodo-3-methyl-1-benzothiophene
CID 131218326
3-methoxy-5-methyl-1-benzothiophene-4-carbonitrile
CID 131197251
4-bromo-3-ethoxy-6-methyl-1-benzothiophene
CID 131138210
4-iodo-3-methoxy-1-benzothiophene-5-carbaldehyde
CID 131123421
5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131146490
5-bromo-3-iodo-6-methoxy-1-benzothiophene
CID 130884034

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methoxy-6-methyl-1-benzothiophene?
The IUPAC name of 4-iodo-3-methoxy-6-methyl-1-benzothiophene (CID 130941722) is 4-iodo-3-methoxy-6-methyl-1-benzothiophene.
What is the SMILES notation for 4-iodo-3-methoxy-6-methyl-1-benzothiophene?
The canonical SMILES for 4-iodo-3-methoxy-6-methyl-1-benzothiophene is COc1csc2cc(C)cc(I)c12.
What is the InChIKey of 4-iodo-3-methoxy-6-methyl-1-benzothiophene?
The InChIKey is JSYZMGAURBHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IOS/c1-6-3-7(11)10-8(12-2)5-13-9(10)4-6/h3-5H,1-2H3.
What are the key properties of 4-iodo-3-methoxy-6-methyl-1-benzothiophene?
4-iodo-3-methoxy-6-methyl-1-benzothiophene has a molecular weight of 304.15 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methoxy-6-methyl-1-benzothiophene is sourced from PubChem (CID 130941722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).