[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate

C12H10O3S — CID 102589864

IUPAC[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1cc2ccccc2s1
InChIInChI=1S/C12H10O3S/c1-8(13)15-7-10(14)12-6-9-4-2-3-5-11(9)16-12/h2-6H,7H2,1H3
InChIKeyVBWPNUDSWFNMQA-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.65
Rot. Bonds3

About [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate

[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate (PubChem CID 102589864) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate
PubChem CID102589864
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1cc2ccccc2s1
InChIInChI=1S/C12H10O3S/c1-8(13)15-7-10(14)12-6-9-4-2-3-5-11(9)16-12/h2-6H,7H2,1H3
InChIKeyVBWPNUDSWFNMQA-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate 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-2-yl)-2-ethoxyethanone
CID 115783077
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
1-(1-benzothiophen-2-yl)-4,4-dimethoxybutane-1,3-dione
CID 114910183
(E)-1-(1-benzothiophen-2-yl)-2-methylbut-2-en-1-one
CID 142740243
bis(1-benzothiophen-2-yl)methanone
CID 5330534
[2-(4-bromophenyl)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 7489791
(4,4-difluoro-3-methylbut-3-enyl) 1-benzothiophene-2-carboxylate
CID 69182537
[2-oxo-2-(propan-2-ylamino)ethyl] 1-benzothiophene-2-carboxylate
CID 7887235
tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate
CID 21064726
1-(1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-one
CID 114965164
1-(1-benzothiophen-2-yl)-3-(4-tert-butylphenyl)propane-1,3-dione
CID 89492280

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate?
The IUPAC name of [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate (CID 102589864) is [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate is CC(=O)OCC(=O)c1cc2ccccc2s1.
What is the InChIKey of [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate?
The InChIKey is VBWPNUDSWFNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-8(13)15-7-10(14)12-6-9-4-2-3-5-11(9)16-12/h2-6H,7H2,1H3.
What are the key properties of [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate?
[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate has a molecular weight of 234.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate is sourced from PubChem (CID 102589864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).