2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H19BO4 — CID 156729938

IUPAC2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2occ(B3OC(C)(C)C(C)(C)O3)c2c1
InChIInChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)12-9-18-13-7-6-10(17-5)8-11(12)13/h6-9H,1-5H3
InChIKeyLKWIJERDCGHQJF-UHFFFAOYSA-N
MW274.12 g/mol
LogP2.74
Rot. Bonds2

About 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 156729938) has the molecular formula C15H19BO4 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID156729938
Molecular FormulaC15H19BO4
Molecular Weight274.12 g/mol
Exact Mass274.14
IUPAC Name2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2occ(B3OC(C)(C)C(C)(C)O3)c2c1
InChIInChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)12-9-18-13-7-6-10(17-5)8-11(12)13/h6-9H,1-5H3
InChIKeyLKWIJERDCGHQJF-UHFFFAOYSA-N
XLogP2.74
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 52.74
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

2-(2-bromo-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135057850
2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121232302
5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 71669477
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176745218
[5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-trimethylazanium
CID 102102929
2-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132508664
tert-butyl-[5-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane
CID 122360585
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628
4,4,5,5-tetramethyl-2-(7-naphthalen-2-ylbenzo[e][1]benzofuran-1-yl)-1,3,2-dioxaborolane
CID 176856162
2-(6-methoxy-1-benzothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131032243
5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 42614613

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 156729938) is 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1ccc2occ(B3OC(C)(C)C(C)(C)O3)c2c1.
What is the InChIKey of 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LKWIJERDCGHQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)12-9-18-13-7-6-10(17-5)8-11(12)13/h6-9H,1-5H3.
What are the key properties of 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 274.12 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 156729938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).