(2-phenoxyphenyl)boronic acid

C12H11BO3 — CID 2773559

IUPAC(2-phenoxyphenyl)boronic acid
SMILESOB(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C12H11BO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,14-15H
InChIKeyAVOWPOFIQZSVGV-UHFFFAOYSA-N
MW214.03 g/mol
LogP1.16
Rot. Bonds3

About (2-phenoxyphenyl)boronic acid

(2-phenoxyphenyl)boronic acid (PubChem CID 2773559) has the molecular formula C12H11BO3 and a molecular weight of 214.03 g/mol. Its IUPAC name is (2-phenoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-phenoxyphenyl)boronic acid
PubChem CID2773559
Molecular FormulaC12H11BO3
Molecular Weight214.03 g/mol
Exact Mass214.08
IUPAC Name(2-phenoxyphenyl)boronic acid
SMILESOB(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C12H11BO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,14-15H
InChIKeyAVOWPOFIQZSVGV-UHFFFAOYSA-N
XLogP1.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 51.16
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 (2-phenoxyphenyl)boronic acid?
The IUPAC name of (2-phenoxyphenyl)boronic acid (CID 2773559) is (2-phenoxyphenyl)boronic acid.
What is the SMILES notation for (2-phenoxyphenyl)boronic acid?
The canonical SMILES for (2-phenoxyphenyl)boronic acid is OB(O)c1ccccc1Oc1ccccc1.
What is the InChIKey of (2-phenoxyphenyl)boronic acid?
The InChIKey is AVOWPOFIQZSVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,14-15H.
What are the key properties of (2-phenoxyphenyl)boronic acid?
(2-phenoxyphenyl)boronic acid has a molecular weight of 214.03 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)boronic acid is sourced from PubChem (CID 2773559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).