4-(methoxymethoxy)-1-benzothiophene

C10H10O2S — CID 22729028

IUPAC4-(methoxymethoxy)-1-benzothiophene
SMILESCOCOc1cccc2sccc12
InChIInChI=1S/C10H10O2S/c1-11-7-12-9-3-2-4-10-8(9)5-6-13-10/h2-6H,7H2,1H3
InChIKeyKTKLILXYMCFRMV-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.88
Rot. Bonds3

About 4-(methoxymethoxy)-1-benzothiophene

4-(methoxymethoxy)-1-benzothiophene (PubChem CID 22729028) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-(methoxymethoxy)-1-benzothiophene.

Molecular Properties

Compound Name4-(methoxymethoxy)-1-benzothiophene
PubChem CID22729028
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name4-(methoxymethoxy)-1-benzothiophene
SMILESCOCOc1cccc2sccc12
InChIInChI=1S/C10H10O2S/c1-11-7-12-9-3-2-4-10-8(9)5-6-13-10/h2-6H,7H2,1H3
InChIKeyKTKLILXYMCFRMV-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-1-benzothiophene?
The IUPAC name of 4-(methoxymethoxy)-1-benzothiophene (CID 22729028) is 4-(methoxymethoxy)-1-benzothiophene.
What is the SMILES notation for 4-(methoxymethoxy)-1-benzothiophene?
The canonical SMILES for 4-(methoxymethoxy)-1-benzothiophene is COCOc1cccc2sccc12.
What is the InChIKey of 4-(methoxymethoxy)-1-benzothiophene?
The InChIKey is KTKLILXYMCFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-11-7-12-9-3-2-4-10-8(9)5-6-13-10/h2-6H,7H2,1H3.
What are the key properties of 4-(methoxymethoxy)-1-benzothiophene?
4-(methoxymethoxy)-1-benzothiophene has a molecular weight of 194.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-1-benzothiophene is sourced from PubChem (CID 22729028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).