3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one

C20H12O2S — CID 102227157

IUPAC3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(c2ccc3sc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C20H12O2S/c21-20-15-7-2-1-6-14(15)19(22-20)12-9-10-18-16(11-12)13-5-3-4-8-17(13)23-18/h1-11,19H
InChIKeyACBQSXSTRPEUQJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.31
Rot. Bonds1

About 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one

3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one (PubChem CID 102227157) has the molecular formula C20H12O2S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one
PubChem CID102227157
Molecular FormulaC20H12O2S
Molecular Weight316.38 g/mol
Exact Mass316.06
IUPAC Name3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(c2ccc3sc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C20H12O2S/c21-20-15-7-2-1-6-14(15)19(22-20)12-9-10-18-16(11-12)13-5-3-4-8-17(13)23-18/h1-11,19H
InChIKeyACBQSXSTRPEUQJ-UHFFFAOYSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one?
The IUPAC name of 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one (CID 102227157) is 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one is O=C1OC(c2ccc3sc4ccccc4c3c2)c2ccccc21.
What is the InChIKey of 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one?
The InChIKey is ACBQSXSTRPEUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O2S/c21-20-15-7-2-1-6-14(15)19(22-20)12-9-10-18-16(11-12)13-5-3-4-8-17(13)23-18/h1-11,19H.
What are the key properties of 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one?
3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one has a molecular weight of 316.38 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 102227157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).