dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane

C11H11BO5-2 — CID 86756851

IUPACdioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane
SMILESCCCOc1cccc2cc(OB([O-])[O-])oc12
InChIInChI=1S/C11H11BO5/c1-2-6-15-9-5-3-4-8-7-10(16-11(8)9)17-12(13)14/h3-5,7H,2,6H2,1H3/q-2
InChIKeyMYRLPRCEDRSGSH-UHFFFAOYSA-N
MW234.02 g/mol
LogP0.31
Rot. Bonds5

About dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane

dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane (PubChem CID 86756851) has the molecular formula C11H11BO5-2 and a molecular weight of 234.02 g/mol. Its IUPAC name is dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane.

Molecular Properties

Compound Namedioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane
PubChem CID86756851
Molecular FormulaC11H11BO5-2
Molecular Weight234.02 g/mol
Exact Mass234.07
IUPAC Namedioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane
SMILESCCCOc1cccc2cc(OB([O-])[O-])oc12
InChIInChI=1S/C11H11BO5/c1-2-6-15-9-5-3-4-8-7-10(16-11(8)9)17-12(13)14/h3-5,7H,2,6H2,1H3/q-2
InChIKeyMYRLPRCEDRSGSH-UHFFFAOYSA-N
XLogP0.31
TPSA77.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine
CID 65439495
7-hexoxy-2-nitro-1-benzofuran
CID 71444466
1-benzofuran-2-yloxy(dioxido)borane
CID 86756846
dioxido-(4-propoxyphenoxy)borane
CID 86756777
8-butoxy-2-oxochromene-3-carboxylic acid;hydrochloride
CID 170307373
potassium 2-propoxyphenolate
CID 23686802
1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol
CID 82264246
bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13393488
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
5-dioxidoboranyloxy-2-propoxybenzonitrile
CID 86756813
N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347
1-propoxybenzo[a]anthracene
CID 172691027

Frequently Asked Questions

What is the IUPAC name of dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane?
The IUPAC name of dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane (CID 86756851) is dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane.
What is the SMILES notation for dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane?
The canonical SMILES for dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane is CCCOc1cccc2cc(OB([O-])[O-])oc12.
What is the InChIKey of dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane?
The InChIKey is MYRLPRCEDRSGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BO5/c1-2-6-15-9-5-3-4-8-7-10(16-11(8)9)17-12(13)14/h3-5,7H,2,6H2,1H3/q-2.
What are the key properties of dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane?
dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane has a molecular weight of 234.02 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane is sourced from PubChem (CID 86756851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).