7-methoxy-5-methyl-1-benzothiophene

C10H10OS — CID 71744018

IUPAC7-methoxy-5-methyl-1-benzothiophene
SMILESCOc1cc(C)cc2ccsc12
InChIInChI=1S/C10H10OS/c1-7-5-8-3-4-12-10(8)9(6-7)11-2/h3-6H,1-2H3
InChIKeyFMAMOHQHNNUMQJ-UHFFFAOYSA-N
MW178.26 g/mol
LogP3.22
Rot. Bonds1

About 7-methoxy-5-methyl-1-benzothiophene

7-methoxy-5-methyl-1-benzothiophene (PubChem CID 71744018) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 7-methoxy-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-methoxy-5-methyl-1-benzothiophene
PubChem CID71744018
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name7-methoxy-5-methyl-1-benzothiophene
SMILESCOc1cc(C)cc2ccsc12
InChIInChI=1S/C10H10OS/c1-7-5-8-3-4-12-10(8)9(6-7)11-2/h3-6H,1-2H3
InChIKeyFMAMOHQHNNUMQJ-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-1-benzothiophene?
The IUPAC name of 7-methoxy-5-methyl-1-benzothiophene (CID 71744018) is 7-methoxy-5-methyl-1-benzothiophene.
What is the SMILES notation for 7-methoxy-5-methyl-1-benzothiophene?
The canonical SMILES for 7-methoxy-5-methyl-1-benzothiophene is COc1cc(C)cc2ccsc12.
What is the InChIKey of 7-methoxy-5-methyl-1-benzothiophene?
The InChIKey is FMAMOHQHNNUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-7-5-8-3-4-12-10(8)9(6-7)11-2/h3-6H,1-2H3.
What are the key properties of 7-methoxy-5-methyl-1-benzothiophene?
7-methoxy-5-methyl-1-benzothiophene has a molecular weight of 178.26 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-1-benzothiophene is sourced from PubChem (CID 71744018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).