6-ethyl-5-iodo-2-methoxy-1-benzothiophene

C11H11IOS — CID 130855342

IUPAC6-ethyl-5-iodo-2-methoxy-1-benzothiophene
SMILESCCc1cc2sc(OC)cc2cc1I
InChIInChI=1S/C11H11IOS/c1-3-7-5-10-8(4-9(7)12)6-11(13-2)14-10/h4-6H,3H2,1-2H3
InChIKeyNCVYFMABIGAGTJ-UHFFFAOYSA-N
MW318.18 g/mol
LogP4.08
Rot. Bonds2

About 6-ethyl-5-iodo-2-methoxy-1-benzothiophene

6-ethyl-5-iodo-2-methoxy-1-benzothiophene (PubChem CID 130855342) has the molecular formula C11H11IOS and a molecular weight of 318.18 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-methoxy-1-benzothiophene
PubChem CID130855342
Molecular FormulaC11H11IOS
Molecular Weight318.18 g/mol
Exact Mass317.96
IUPAC Name6-ethyl-5-iodo-2-methoxy-1-benzothiophene
SMILESCCc1cc2sc(OC)cc2cc1I
InChIInChI=1S/C11H11IOS/c1-3-7-5-10-8(4-9(7)12)6-11(13-2)14-10/h4-6H,3H2,1-2H3
InChIKeyNCVYFMABIGAGTJ-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-methoxy-1-benzothiophene?
The IUPAC name of 6-ethyl-5-iodo-2-methoxy-1-benzothiophene (CID 130855342) is 6-ethyl-5-iodo-2-methoxy-1-benzothiophene.
What is the SMILES notation for 6-ethyl-5-iodo-2-methoxy-1-benzothiophene?
The canonical SMILES for 6-ethyl-5-iodo-2-methoxy-1-benzothiophene is CCc1cc2sc(OC)cc2cc1I.
What is the InChIKey of 6-ethyl-5-iodo-2-methoxy-1-benzothiophene?
The InChIKey is NCVYFMABIGAGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IOS/c1-3-7-5-10-8(4-9(7)12)6-11(13-2)14-10/h4-6H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-iodo-2-methoxy-1-benzothiophene?
6-ethyl-5-iodo-2-methoxy-1-benzothiophene has a molecular weight of 318.18 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-methoxy-1-benzothiophene is sourced from PubChem (CID 130855342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).