4,7-dimethoxy-2-methyl-1-benzothiophene

C11H12O2S — CID 22890914

IUPAC4,7-dimethoxy-2-methyl-1-benzothiophene
SMILESCOc1ccc(OC)c2sc(C)cc12
InChIInChI=1S/C11H12O2S/c1-7-6-8-9(12-2)4-5-10(13-3)11(8)14-7/h4-6H,1-3H3
InChIKeyNIVFEGFGDQZKJS-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.23
Rot. Bonds2

About 4,7-dimethoxy-2-methyl-1-benzothiophene

4,7-dimethoxy-2-methyl-1-benzothiophene (PubChem CID 22890914) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 4,7-dimethoxy-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name4,7-dimethoxy-2-methyl-1-benzothiophene
PubChem CID22890914
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name4,7-dimethoxy-2-methyl-1-benzothiophene
SMILESCOc1ccc(OC)c2sc(C)cc12
InChIInChI=1S/C11H12O2S/c1-7-6-8-9(12-2)4-5-10(13-3)11(8)14-7/h4-6H,1-3H3
InChIKeyNIVFEGFGDQZKJS-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-2-methyl-1-benzothiophene?
The IUPAC name of 4,7-dimethoxy-2-methyl-1-benzothiophene (CID 22890914) is 4,7-dimethoxy-2-methyl-1-benzothiophene.
What is the SMILES notation for 4,7-dimethoxy-2-methyl-1-benzothiophene?
The canonical SMILES for 4,7-dimethoxy-2-methyl-1-benzothiophene is COc1ccc(OC)c2sc(C)cc12.
What is the InChIKey of 4,7-dimethoxy-2-methyl-1-benzothiophene?
The InChIKey is NIVFEGFGDQZKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-7-6-8-9(12-2)4-5-10(13-3)11(8)14-7/h4-6H,1-3H3.
What are the key properties of 4,7-dimethoxy-2-methyl-1-benzothiophene?
4,7-dimethoxy-2-methyl-1-benzothiophene has a molecular weight of 208.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-2-methyl-1-benzothiophene is sourced from PubChem (CID 22890914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).