1-(1-benzothiophen-7-yl)-2-methylpropan-1-one

C12H12OS — CID 81153250

IUPAC1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cccc2ccsc12
InChIInChI=1S/C12H12OS/c1-8(2)11(13)10-5-3-4-9-6-7-14-12(9)10/h3-8H,1-2H3
InChIKeyAAQDSPYFMDMTDQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.74
Rot. Bonds2

About 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one

1-(1-benzothiophen-7-yl)-2-methylpropan-1-one (PubChem CID 81153250) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
PubChem CID81153250
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cccc2ccsc12
InChIInChI=1S/C12H12OS/c1-8(2)11(13)10-5-3-4-9-6-7-14-12(9)10/h3-8H,1-2H3
InChIKeyAAQDSPYFMDMTDQ-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-7-yl)-2-methoxybutan-1-one
CID 116707119
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone
CID 116708929
1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one
CID 116707740
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone
CID 103457692
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one
CID 116607538
1-(1-benzothiophen-7-yl)-2-(butan-2-ylamino)ethanone
CID 116556159
1-(1-benzothiophen-7-yl)-2-methylsulfonylethanone
CID 115791050
2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604897
1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
CID 115791035
1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone
CID 107003986

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one (CID 81153250) is 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one?
The InChIKey is AAQDSPYFMDMTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-8(2)11(13)10-5-3-4-9-6-7-14-12(9)10/h3-8H,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one?
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one has a molecular weight of 204.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-methylpropan-1-one is sourced from PubChem (CID 81153250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).