3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine

C20H14O3 — CID 176765840

IUPAC3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine
SMILESc1ccc2oc(C3OCc4c(ccc5ccccc45)O3)cc2c1
InChIInChI=1S/C20H14O3/c1-3-7-15-13(5-1)9-10-18-16(15)12-21-20(23-18)19-11-14-6-2-4-8-17(14)22-19/h1-11,20H,12H2
InChIKeyKNUFZCZUEPUQGE-UHFFFAOYSA-N
MW302.33 g/mol
LogP5.19
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine

3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine (PubChem CID 176765840) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine
PubChem CID176765840
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine
SMILESc1ccc2oc(C3OCc4c(ccc5ccccc45)O3)cc2c1
InChIInChI=1S/C20H14O3/c1-3-7-15-13(5-1)9-10-18-16(15)12-21-20(23-18)19-11-14-6-2-4-8-17(14)22-19/h1-11,20H,12H2
InChIKeyKNUFZCZUEPUQGE-UHFFFAOYSA-N
XLogP5.19
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.33
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12528043
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CID 174996642
(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872
4-(1-benzofuran-2-yl)-1-ethylpiperidine
CID 23312291
3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine
CID 81417499
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
CID 118967498
1,3-dihydrobenzo[e][2]benzofuran-3-ol
CID 130127539
2-anthracen-9-yl-4H-1,3-benzodioxine
CID 11716584
2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine
CID 70570893
2-benzyl-1,2-dihydrobenzo[e][1]benzofuran
CID 13432982
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 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine?
The IUPAC name of 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine (CID 176765840) is 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine is c1ccc2oc(C3OCc4c(ccc5ccccc45)O3)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine?
The InChIKey is KNUFZCZUEPUQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-3-7-15-13(5-1)9-10-18-16(15)12-21-20(23-18)19-11-14-6-2-4-8-17(14)22-19/h1-11,20H,12H2.
What are the key properties of 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine?
3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine has a molecular weight of 302.33 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1H-benzo[f][1,3]benzodioxine is sourced from PubChem (CID 176765840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).