2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H23BO5 — CID 171477299

IUPAC2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(ccc3ccoc32)c1
InChIInChI=1S/C20H23BO5/c1-19(2)20(3,4)26-21(25-19)16-11-15(24-12-22-5)10-14-7-6-13-8-9-23-18(13)17(14)16/h6-11H,12H2,1-5H3
InChIKeyKKCASKWKMSFPNJ-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.87
Rot. Bonds4

About 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171477299) has the molecular formula C20H23BO5 and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171477299
Molecular FormulaC20H23BO5
Molecular Weight354.21 g/mol
Exact Mass354.16
IUPAC Name2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(ccc3ccoc32)c1
InChIInChI=1S/C20H23BO5/c1-19(2)20(3,4)26-21(25-19)16-11-15(24-12-22-5)10-14-7-6-13-8-9-23-18(13)17(14)16/h6-11H,12H2,1-5H3
InChIKeyKKCASKWKMSFPNJ-UHFFFAOYSA-N
XLogP3.87
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[7-fluoro-4-(methoxymethoxy)-1-benzofuran-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171835560
3-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy-tri(propan-2-yl)silane
CID 177327511
ethyl 2-fluoro-4-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]butanoate
CID 171613204
2-(6-methoxy-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166057676
2-[3-chloro-5-(methoxymethoxy)-2-[(1S,2R)-2-methylcyclopropyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167381067
2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171365344
7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 166586259
6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 162432959
2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170902239
2-[4-(methoxymethoxy)-3-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66730510
5-[2-chloro-4-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pent-1-ynyl-trimethylsilane
CID 175991597
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197

Frequently Asked Questions

What is the IUPAC name of 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171477299) is 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(ccc3ccoc32)c1.
What is the InChIKey of 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KKCASKWKMSFPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BO5/c1-19(2)20(3,4)26-21(25-19)16-11-15(24-12-22-5)10-14-7-6-13-8-9-23-18(13)17(14)16/h6-11H,12H2,1-5H3.
What are the key properties of 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 354.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171477299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).