2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H19BO4 — CID 174266516

IUPAC2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3oc4ccc5occc5c4c3c2)OC1(C)C
InChIInChI=1S/C20H19BO4/c1-19(2)20(3,4)25-21(24-19)12-5-6-16-14(11-12)18-13-9-10-22-15(13)7-8-17(18)23-16/h5-11H,1-4H3
InChIKeyKLSIJTXPOARDHW-UHFFFAOYSA-N
MW334.18 g/mol
LogP4.63
Rot. Bonds1

About 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 174266516) has the molecular formula C20H19BO4 and a molecular weight of 334.18 g/mol. Its IUPAC name is 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID174266516
Molecular FormulaC20H19BO4
Molecular Weight334.18 g/mol
Exact Mass334.14
IUPAC Name2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3oc4ccc5occc5c4c3c2)OC1(C)C
InChIInChI=1S/C20H19BO4/c1-19(2)20(3,4)25-21(24-19)12-5-6-16-14(11-12)18-13-9-10-22-15(13)7-8-17(18)23-16/h5-11H,1-4H3
InChIKeyKLSIJTXPOARDHW-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'}

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Related Compounds

4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 153437831
4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
CID 168795820
2-(6,7,8,9,10,11-hexadeuterionaphtho[2,3-b][1]benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176840891
2-(1,2,3,4,5,6-hexadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176840804
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene
CID 162700659
4,4,5,5-tetramethyl-2-(2-methyl-1-benzofuran-5-yl)-1,3,2-dioxaborolane
CID 131166925
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]chromen-6-one
CID 140838592
4,4,5,5-tetramethyl-2-naphtho[3,2-b][1]benzofuran-8-yl-1,3,2-dioxaborolane
CID 131744275
4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane
CID 140853408
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 174266516) is 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3oc4ccc5occc5c4c3c2)OC1(C)C.
What is the InChIKey of 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KLSIJTXPOARDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BO4/c1-19(2)20(3,4)25-21(24-19)12-5-6-16-14(11-12)18-13-9-10-22-15(13)7-8-17(18)23-16/h5-11H,1-4H3.
What are the key properties of 2-([1]benzofuro[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-([1]benzofuro[5,4-b][1]benzofuran-9-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[5,4-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 174266516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).