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

C15H18O2S — CID 116707740

IUPAC1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one
SMILESCCCC(OCC)C(=O)c1cccc2ccsc12
InChIInChI=1S/C15H18O2S/c1-3-6-13(17-4-2)14(16)12-8-5-7-11-9-10-18-15(11)12/h5,7-10,13H,3-4,6H2,1-2H3
InChIKeyZGWPUWUTCNZZBP-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.29
Rot. Bonds6

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

1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one (PubChem CID 116707740) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one
PubChem CID116707740
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one
SMILESCCCC(OCC)C(=O)c1cccc2ccsc12
InChIInChI=1S/C15H18O2S/c1-3-6-13(17-4-2)14(16)12-8-5-7-11-9-10-18-15(11)12/h5,7-10,13H,3-4,6H2,1-2H3
InChIKeyZGWPUWUTCNZZBP-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2-methoxybutan-1-one
CID 116707119
2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102831102
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one
CID 116707827
1-(3-bromo-2-fluorophenyl)-2-ethoxypentan-1-one
CID 106644947
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone
CID 116708929
3-(aminomethyl)-1-(1-benzothiophen-7-yl)pentan-1-one
CID 116596251
1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
CID 116562808
2-ethoxy-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831100
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105122134
5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one
CID 116607538

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one (CID 116707740) is 1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one is CCCC(OCC)C(=O)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one?
The InChIKey is ZGWPUWUTCNZZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-3-6-13(17-4-2)14(16)12-8-5-7-11-9-10-18-15(11)12/h5,7-10,13H,3-4,6H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one?
1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one has a molecular weight of 262.37 g/mol, XLogP of 4.29, 6 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-ethoxypentan-1-one is sourced from PubChem (CID 116707740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).