3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C14H10O3S — CID 90998949

IUPAC3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1ccc2oc(C3COc4cscc4O3)cc2c1
InChIInChI=1S/C14H10O3S/c1-2-4-10-9(3-1)5-11(16-10)12-6-15-13-7-18-8-14(13)17-12/h1-5,7-8,12H,6H2
InChIKeyCEJPQMPRCNDWGP-UHFFFAOYSA-N
MW258.30 g/mol
LogP4.01
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 90998949) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID90998949
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1ccc2oc(C3COc4cscc4O3)cc2c1
InChIInChI=1S/C14H10O3S/c1-2-4-10-9(3-1)5-11(16-10)12-6-15-13-7-18-8-14(13)17-12/h1-5,7-8,12H,6H2
InChIKeyCEJPQMPRCNDWGP-UHFFFAOYSA-N
XLogP4.01
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 139777260
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CID 102436432
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
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CID 81495338
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CID 142711103
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CID 174996642
2-(1-benzofuran-2-yl)-1,3-thiazolidine
CID 63898466
6-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3159429
(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872
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CID 176765840
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CID 81417499

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 90998949) is 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1ccc2oc(C3COc4cscc4O3)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is CEJPQMPRCNDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c1-2-4-10-9(3-1)5-11(16-10)12-6-15-13-7-18-8-14(13)17-12/h1-5,7-8,12H,6H2.
What are the key properties of 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 258.30 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 90998949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).