4-methoxy-1-benzothiophene

C9H8OS — CID 12623869

IUPAC4-methoxy-1-benzothiophene
SMILESCOc1cccc2sccc12
InChIInChI=1S/C9H8OS/c1-10-8-3-2-4-9-7(8)5-6-11-9/h2-6H,1H3
InChIKeyYPOBRGLUEDOCKJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.91
Rot. Bonds1

About 4-methoxy-1-benzothiophene

4-methoxy-1-benzothiophene (PubChem CID 12623869) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-methoxy-1-benzothiophene.

Molecular Properties

Compound Name4-methoxy-1-benzothiophene
PubChem CID12623869
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name4-methoxy-1-benzothiophene
SMILESCOc1cccc2sccc12
InChIInChI=1S/C9H8OS/c1-10-8-3-2-4-9-7(8)5-6-11-9/h2-6H,1H3
InChIKeyYPOBRGLUEDOCKJ-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-benzothiophene?
The IUPAC name of 4-methoxy-1-benzothiophene (CID 12623869) is 4-methoxy-1-benzothiophene.
What is the SMILES notation for 4-methoxy-1-benzothiophene?
The canonical SMILES for 4-methoxy-1-benzothiophene is COc1cccc2sccc12.
What is the InChIKey of 4-methoxy-1-benzothiophene?
The InChIKey is YPOBRGLUEDOCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c1-10-8-3-2-4-9-7(8)5-6-11-9/h2-6H,1H3.
What are the key properties of 4-methoxy-1-benzothiophene?
4-methoxy-1-benzothiophene has a molecular weight of 164.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-benzothiophene is sourced from PubChem (CID 12623869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).