3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one

C16H10O2S — CID 12758158

IUPAC3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cc3ccccc3s2)c2ccccc21
InChIInChI=1S/C16H10O2S/c17-16-12-7-3-2-6-11(12)15(18-16)14-9-10-5-1-4-8-13(10)19-14/h1-9,15H
InChIKeyZNHVQHQKAFPHDC-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.16
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one

3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one (PubChem CID 12758158) has the molecular formula C16H10O2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one
PubChem CID12758158
Molecular FormulaC16H10O2S
Molecular Weight266.32 g/mol
Exact Mass266.04
IUPAC Name3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cc3ccccc3s2)c2ccccc21
InChIInChI=1S/C16H10O2S/c17-16-12-7-3-2-6-11(12)15(18-16)14-9-10-5-1-4-8-13(10)19-14/h1-9,15H
InChIKeyZNHVQHQKAFPHDC-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one (CID 12758158) is 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one is O=C1OC(c2cc3ccccc3s2)c2ccccc21.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one?
The InChIKey is ZNHVQHQKAFPHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2S/c17-16-12-7-3-2-6-11(12)15(18-16)14-9-10-5-1-4-8-13(10)19-14/h1-9,15H.
What are the key properties of 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one?
3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one has a molecular weight of 266.32 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 12758158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).