1-(1-benzothiophen-2-yl)-2-ethoxyethanone

C12H12O2S — CID 115783077

IUPAC1-(1-benzothiophen-2-yl)-2-ethoxyethanone
SMILESCCOCC(=O)c1cc2ccccc2s1
InChIInChI=1S/C12H12O2S/c1-2-14-8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3
InChIKeyWZDXTHFFQIFPAW-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.12
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-ethoxyethanone

1-(1-benzothiophen-2-yl)-2-ethoxyethanone (PubChem CID 115783077) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-ethoxyethanone
PubChem CID115783077
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name1-(1-benzothiophen-2-yl)-2-ethoxyethanone
SMILESCCOCC(=O)c1cc2ccccc2s1
InChIInChI=1S/C12H12O2S/c1-2-14-8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3
InChIKeyWZDXTHFFQIFPAW-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate
CID 102589864
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
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
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-(1-benzothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800328
(E)-1-(1-benzothiophen-2-yl)-2-methylbut-2-en-1-one
CID 142740243
2-ethoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 115782877
1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
CID 115791389
tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate
CID 21064726
1-(1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-one
CID 114965164

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-ethoxyethanone?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-ethoxyethanone (CID 115783077) is 1-(1-benzothiophen-2-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-ethoxyethanone is CCOCC(=O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-ethoxyethanone?
The InChIKey is WZDXTHFFQIFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-2-14-8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-ethoxyethanone?
1-(1-benzothiophen-2-yl)-2-ethoxyethanone has a molecular weight of 220.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-ethoxyethanone is sourced from PubChem (CID 115783077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).