[5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid

C16H14B2O3 — CID 16745077

IUPAC[5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid
SMILESOB(c1ccccc1)c1ccc(B(O)c2ccccc2)o1
InChIInChI=1S/C16H14B2O3/c19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(20)14-9-5-2-6-10-14/h1-12,19-20H
InChIKeyWFUHQKWMRTYRHH-UHFFFAOYSA-N
MW275.91 g/mol
LogP-0.52
Rot. Bonds4

About [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid

[5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid (PubChem CID 16745077) has the molecular formula C16H14B2O3 and a molecular weight of 275.91 g/mol. Its IUPAC name is [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid.

Molecular Properties

Compound Name[5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid
PubChem CID16745077
Molecular FormulaC16H14B2O3
Molecular Weight275.91 g/mol
Exact Mass276.11
IUPAC Name[5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid
SMILESOB(c1ccccc1)c1ccc(B(O)c2ccccc2)o1
InChIInChI=1S/C16H14B2O3/c19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(20)14-9-5-2-6-10-14/h1-12,19-20H
InChIKeyWFUHQKWMRTYRHH-UHFFFAOYSA-N
XLogP-0.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.91
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid?
The IUPAC name of [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid (CID 16745077) is [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid.
What is the SMILES notation for [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid?
The canonical SMILES for [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid is OB(c1ccccc1)c1ccc(B(O)c2ccccc2)o1.
What is the InChIKey of [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid?
The InChIKey is WFUHQKWMRTYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14B2O3/c19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(20)14-9-5-2-6-10-14/h1-12,19-20H.
What are the key properties of [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid?
[5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid has a molecular weight of 275.91 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[hydroxy(phenyl)boranyl]furan-2-yl]-phenylborinic acid is sourced from PubChem (CID 16745077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).