4,7-dimethoxy-1-benzothiophene

C10H10O2S — CID 11095506

IUPAC4,7-dimethoxy-1-benzothiophene
SMILESCOc1ccc(OC)c2sccc12
InChIInChI=1S/C10H10O2S/c1-11-8-3-4-9(12-2)10-7(8)5-6-13-10/h3-6H,1-2H3
InChIKeyNCNWCNXPSWANMM-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.92
Rot. Bonds2

About 4,7-dimethoxy-1-benzothiophene

4,7-dimethoxy-1-benzothiophene (PubChem CID 11095506) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 4,7-dimethoxy-1-benzothiophene.

Molecular Properties

Compound Name4,7-dimethoxy-1-benzothiophene
PubChem CID11095506
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name4,7-dimethoxy-1-benzothiophene
SMILESCOc1ccc(OC)c2sccc12
InChIInChI=1S/C10H10O2S/c1-11-8-3-4-9(12-2)10-7(8)5-6-13-10/h3-6H,1-2H3
InChIKeyNCNWCNXPSWANMM-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1-benzothiophene?
The IUPAC name of 4,7-dimethoxy-1-benzothiophene (CID 11095506) is 4,7-dimethoxy-1-benzothiophene.
What is the SMILES notation for 4,7-dimethoxy-1-benzothiophene?
The canonical SMILES for 4,7-dimethoxy-1-benzothiophene is COc1ccc(OC)c2sccc12.
What is the InChIKey of 4,7-dimethoxy-1-benzothiophene?
The InChIKey is NCNWCNXPSWANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-11-8-3-4-9(12-2)10-7(8)5-6-13-10/h3-6H,1-2H3.
What are the key properties of 4,7-dimethoxy-1-benzothiophene?
4,7-dimethoxy-1-benzothiophene has a molecular weight of 194.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1-benzothiophene is sourced from PubChem (CID 11095506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).