5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole

C11H8BClO3 — CID 140829438

IUPAC5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole
SMILESOB1OCc2cc(Cl)c(-c3ccco3)cc21
InChIInChI=1S/C11H8BClO3/c13-10-4-7-6-16-12(14)9(7)5-8(10)11-2-1-3-15-11/h1-5,14H,6H2
InChIKeySAJBQTMQAUZSTI-UHFFFAOYSA-N
MW234.45 g/mol
LogP1.82
Rot. Bonds1

About 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole

5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole (PubChem CID 140829438) has the molecular formula C11H8BClO3 and a molecular weight of 234.45 g/mol. Its IUPAC name is 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole.

Molecular Properties

Compound Name5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole
PubChem CID140829438
Molecular FormulaC11H8BClO3
Molecular Weight234.45 g/mol
Exact Mass234.03
IUPAC Name5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole
SMILESOB1OCc2cc(Cl)c(-c3ccco3)cc21
InChIInChI=1S/C11H8BClO3/c13-10-4-7-6-16-12(14)9(7)5-8(10)11-2-1-3-15-11/h1-5,14H,6H2
InChIKeySAJBQTMQAUZSTI-UHFFFAOYSA-N
XLogP1.82
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
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-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole?
The IUPAC name of 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole (CID 140829438) is 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole.
What is the SMILES notation for 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole?
The canonical SMILES for 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole is OB1OCc2cc(Cl)c(-c3ccco3)cc21.
What is the InChIKey of 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole?
The InChIKey is SAJBQTMQAUZSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BClO3/c13-10-4-7-6-16-12(14)9(7)5-8(10)11-2-1-3-15-11/h1-5,14H,6H2.
What are the key properties of 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole?
5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole has a molecular weight of 234.45 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(furan-2-yl)-1-hydroxy-3H-2,1-benzoxaborole is sourced from PubChem (CID 140829438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).