2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H19BO4 — CID 176745218

IUPAC2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2coc3cc4oc5ccccc5c4cc23)OC1(C)C
InChIInChI=1S/C20H19BO4/c1-19(2)20(3,4)25-21(24-19)15-11-22-17-10-18-13(9-14(15)17)12-7-5-6-8-16(12)23-18/h5-11H,1-4H3
InChIKeyVGRQFZOMFYBXGU-UHFFFAOYSA-N
MW334.18 g/mol
LogP4.63
Rot. Bonds1

About 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 176745218) has the molecular formula C20H19BO4 and a molecular weight of 334.18 g/mol. Its IUPAC name is 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID176745218
Molecular FormulaC20H19BO4
Molecular Weight334.18 g/mol
Exact Mass334.14
IUPAC Name2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2coc3cc4oc5ccccc5c4cc23)OC1(C)C
InChIInChI=1S/C20H19BO4/c1-19(2)20(3,4)25-21(24-19)15-11-22-17-10-18-13(9-14(15)17)12-7-5-6-8-16(12)23-18/h5-11H,1-4H3
InChIKeyVGRQFZOMFYBXGU-UHFFFAOYSA-N
XLogP4.63
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane
CID 140853408
4,4,5,5-tetramethyl-2-naphtho[3,2-b][1]benzofuran-8-yl-1,3,2-dioxaborolane
CID 131744275
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 142598773
4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane
CID 152830256
2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 153289648
4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262165
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
2,4-di(dibenzofuran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
CID 176740304
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156729938
2-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449572
5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 90224396

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 176745218) is 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2coc3cc4oc5ccccc5c4cc23)OC1(C)C.
What is the InChIKey of 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VGRQFZOMFYBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BO4/c1-19(2)20(3,4)25-21(24-19)15-11-22-17-10-18-13(9-14(15)17)12-7-5-6-8-16(12)23-18/h5-11H,1-4H3.
What are the key properties of 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 334.18 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 176745218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).