furan-2-yl(furan-2-yloxy)borinic acid

C8H7BO4 — CID 174172079

IUPACfuran-2-yl(furan-2-yloxy)borinic acid
SMILESOB(Oc1ccco1)c1ccco1
InChIInChI=1S/C8H7BO4/c10-9(7-3-1-5-11-7)13-8-4-2-6-12-8/h1-6,10H
InChIKeyVYWHIFNRFHGNHB-UHFFFAOYSA-N
MW177.95 g/mol
LogP0.64
Rot. Bonds3

About furan-2-yl(furan-2-yloxy)borinic acid

furan-2-yl(furan-2-yloxy)borinic acid (PubChem CID 174172079) has the molecular formula C8H7BO4 and a molecular weight of 177.95 g/mol. Its IUPAC name is furan-2-yl(furan-2-yloxy)borinic acid.

Molecular Properties

Compound Namefuran-2-yl(furan-2-yloxy)borinic acid
PubChem CID174172079
Molecular FormulaC8H7BO4
Molecular Weight177.95 g/mol
Exact Mass178.04
IUPAC Namefuran-2-yl(furan-2-yloxy)borinic acid
SMILESOB(Oc1ccco1)c1ccco1
InChIInChI=1S/C8H7BO4/c10-9(7-3-1-5-11-7)13-8-4-2-6-12-8/h1-6,10H
InChIKeyVYWHIFNRFHGNHB-UHFFFAOYSA-N
XLogP0.64
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.95
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 101033602
CID 101033602
calcium;furan-2-yl hydrogen carbonate;hydride;hydrate
CID 173498538
potassium furan-2-yl carbonate
CID 174835445
bis(furan-2-yl) sulfate
CID 70505837
furan-2-yloxy(methyl)phosphinic acid
CID 88617556
furan-2-yl triphenylgermylformate
CID 11101761
furan-2-yloxysulfamic acid
CID 141225555
furan-2-yl 2-phenylbut-3-ynoate
CID 102070869
azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate
CID 174909619
furan-2-yl sulfamate
CID 91573217
zinc furan-2-carboxylic acid
CID 25022579
furan-2-yl 3-amino-3-oxopropanoate
CID 141082647

Frequently Asked Questions

What is the IUPAC name of furan-2-yl(furan-2-yloxy)borinic acid?
The IUPAC name of furan-2-yl(furan-2-yloxy)borinic acid (CID 174172079) is furan-2-yl(furan-2-yloxy)borinic acid.
What is the SMILES notation for furan-2-yl(furan-2-yloxy)borinic acid?
The canonical SMILES for furan-2-yl(furan-2-yloxy)borinic acid is OB(Oc1ccco1)c1ccco1.
What is the InChIKey of furan-2-yl(furan-2-yloxy)borinic acid?
The InChIKey is VYWHIFNRFHGNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BO4/c10-9(7-3-1-5-11-7)13-8-4-2-6-12-8/h1-6,10H.
What are the key properties of furan-2-yl(furan-2-yloxy)borinic acid?
furan-2-yl(furan-2-yloxy)borinic acid has a molecular weight of 177.95 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(furan-2-yloxy)borinic acid is sourced from PubChem (CID 174172079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).