1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C14H16O2S — CID 105122134

IUPAC1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)c1cccc2ccsc12
InChIInChI=1S/C14H16O2S/c1-14(2,3)16-9-12(15)11-6-4-5-10-7-8-17-13(10)11/h4-8H,9H2,1-3H3
InChIKeyUXIGXOHGUWYTPV-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.90
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 105122134) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID105122134
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)c1cccc2ccsc12
InChIInChI=1S/C14H16O2S/c1-14(2,3)16-9-12(15)11-6-4-5-10-7-8-17-13(10)11/h4-8H,9H2,1-3H3
InChIKeyUXIGXOHGUWYTPV-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 105122134) is 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC(C)(C)OCC(=O)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is UXIGXOHGUWYTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-14(2,3)16-9-12(15)11-6-4-5-10-7-8-17-13(10)11/h4-8H,9H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 248.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 105122134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).