1-benzothiophen-2-yl(furan-3-yl)methanone

C13H8O2S — CID 71739499

IUPAC1-benzothiophen-2-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)c1cc2ccccc2s1
InChIInChI=1S/C13H8O2S/c14-13(10-5-6-15-8-10)12-7-9-3-1-2-4-11(9)16-12/h1-8H
InChIKeyFZLPTJAIMLUDBH-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.73
Rot. Bonds2

About 1-benzothiophen-2-yl(furan-3-yl)methanone

1-benzothiophen-2-yl(furan-3-yl)methanone (PubChem CID 71739499) has the molecular formula C13H8O2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(furan-3-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl(furan-3-yl)methanone
PubChem CID71739499
Molecular FormulaC13H8O2S
Molecular Weight228.27 g/mol
Exact Mass228.02
IUPAC Name1-benzothiophen-2-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)c1cc2ccccc2s1
InChIInChI=1S/C13H8O2S/c14-13(10-5-6-15-8-10)12-7-9-3-1-2-4-11(9)16-12/h1-8H
InChIKeyFZLPTJAIMLUDBH-UHFFFAOYSA-N
XLogP3.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
bis(1-benzothiophen-2-yl)methanone
CID 5330534
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116
1-benzothiophen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963979
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
4-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 61406648
1-benzothiophen-2-yl(quinolin-6-yl)methanone
CID 115790588
1-benzothiophen-2-yl(quinolin-7-yl)methanone
CID 115791003
1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
CID 115791389
1-benzothiophen-2-yl(1H-indol-2-yl)methanone
CID 134955887

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(furan-3-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl(furan-3-yl)methanone (CID 71739499) is 1-benzothiophen-2-yl(furan-3-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl(furan-3-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl(furan-3-yl)methanone is O=C(c1ccoc1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl(furan-3-yl)methanone?
The InChIKey is FZLPTJAIMLUDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S/c14-13(10-5-6-15-8-10)12-7-9-3-1-2-4-11(9)16-12/h1-8H.
What are the key properties of 1-benzothiophen-2-yl(furan-3-yl)methanone?
1-benzothiophen-2-yl(furan-3-yl)methanone has a molecular weight of 228.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(furan-3-yl)methanone is sourced from PubChem (CID 71739499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).