5-methoxy-7-methyl-1-benzothiophen-3-one

C10H10O2S — CID 82401004

IUPAC5-methoxy-7-methyl-1-benzothiophen-3-one
SMILESCOc1cc(C)c2c(c1)C(=O)CS2
InChIInChI=1S/C10H10O2S/c1-6-3-7(12-2)4-8-9(11)5-13-10(6)8/h3-4H,5H2,1-2H3
InChIKeyHKJADLWIHVASDU-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.29
Rot. Bonds1

About 5-methoxy-7-methyl-1-benzothiophen-3-one

5-methoxy-7-methyl-1-benzothiophen-3-one (PubChem CID 82401004) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 5-methoxy-7-methyl-1-benzothiophen-3-one.

Molecular Properties

Compound Name5-methoxy-7-methyl-1-benzothiophen-3-one
PubChem CID82401004
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name5-methoxy-7-methyl-1-benzothiophen-3-one
SMILESCOc1cc(C)c2c(c1)C(=O)CS2
InChIInChI=1S/C10H10O2S/c1-6-3-7(12-2)4-8-9(11)5-13-10(6)8/h3-4H,5H2,1-2H3
InChIKeyHKJADLWIHVASDU-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-7-methyl-1-benzothiophen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-1-benzothiophen-3-one?
The IUPAC name of 5-methoxy-7-methyl-1-benzothiophen-3-one (CID 82401004) is 5-methoxy-7-methyl-1-benzothiophen-3-one.
What is the SMILES notation for 5-methoxy-7-methyl-1-benzothiophen-3-one?
The canonical SMILES for 5-methoxy-7-methyl-1-benzothiophen-3-one is COc1cc(C)c2c(c1)C(=O)CS2.
What is the InChIKey of 5-methoxy-7-methyl-1-benzothiophen-3-one?
The InChIKey is HKJADLWIHVASDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-6-3-7(12-2)4-8-9(11)5-13-10(6)8/h3-4H,5H2,1-2H3.
What are the key properties of 5-methoxy-7-methyl-1-benzothiophen-3-one?
5-methoxy-7-methyl-1-benzothiophen-3-one has a molecular weight of 194.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-1-benzothiophen-3-one is sourced from PubChem (CID 82401004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).