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

C16H10O3 — CID 174996642

IUPAC2-(1-benzofuran-2-yl)-1-benzofuran-3-one
SMILESO=C1c2ccccc2OC1c1cc2ccccc2o1
InChIInChI=1S/C16H10O3/c17-15-11-6-2-4-8-13(11)19-16(15)14-9-10-5-1-3-7-12(10)18-14/h1-9,16H
InChIKeyKZNCQHBNXWALGM-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.75
Rot. Bonds1

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

2-(1-benzofuran-2-yl)-1-benzofuran-3-one (PubChem CID 174996642) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-benzofuran-3-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-benzofuran-3-one
PubChem CID174996642
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name2-(1-benzofuran-2-yl)-1-benzofuran-3-one
SMILESO=C1c2ccccc2OC1c1cc2ccccc2o1
InChIInChI=1S/C16H10O3/c17-15-11-6-2-4-8-13(11)19-16(15)14-9-10-5-1-3-7-12(10)18-14/h1-9,16H
InChIKeyKZNCQHBNXWALGM-UHFFFAOYSA-N
XLogP3.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1,3-benzodithiol-2-yl)-1-benzofuran
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2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine
CID 176765840
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
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CID 176765895
(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide
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3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 90998949

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-benzofuran-3-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-benzofuran-3-one (CID 174996642) is 2-(1-benzofuran-2-yl)-1-benzofuran-3-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-benzofuran-3-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-benzofuran-3-one is O=C1c2ccccc2OC1c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-benzofuran-3-one?
The InChIKey is KZNCQHBNXWALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c17-15-11-6-2-4-8-13(11)19-16(15)14-9-10-5-1-3-7-12(10)18-14/h1-9,16H.
What are the key properties of 2-(1-benzofuran-2-yl)-1-benzofuran-3-one?
2-(1-benzofuran-2-yl)-1-benzofuran-3-one has a molecular weight of 250.25 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-benzofuran-3-one is sourced from PubChem (CID 174996642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).