phenyl(2-phenylethoxy)borinic acid

C14H15BO2 — CID 175423698

IUPACphenyl(2-phenylethoxy)borinic acid
SMILESOB(OCCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15BO2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKeyHEMCULXUJIKVAH-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.63
Rot. Bonds5

About phenyl(2-phenylethoxy)borinic acid

phenyl(2-phenylethoxy)borinic acid (PubChem CID 175423698) has the molecular formula C14H15BO2 and a molecular weight of 226.08 g/mol. Its IUPAC name is phenyl(2-phenylethoxy)borinic acid.

Molecular Properties

Compound Namephenyl(2-phenylethoxy)borinic acid
PubChem CID175423698
Molecular FormulaC14H15BO2
Molecular Weight226.08 g/mol
Exact Mass226.12
IUPAC Namephenyl(2-phenylethoxy)borinic acid
SMILESOB(OCCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15BO2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKeyHEMCULXUJIKVAH-UHFFFAOYSA-N
XLogP1.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 phenyl(2-phenylethoxy)borinic acid?
The IUPAC name of phenyl(2-phenylethoxy)borinic acid (CID 175423698) is phenyl(2-phenylethoxy)borinic acid.
What is the SMILES notation for phenyl(2-phenylethoxy)borinic acid?
The canonical SMILES for phenyl(2-phenylethoxy)borinic acid is OB(OCCc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl(2-phenylethoxy)borinic acid?
The InChIKey is HEMCULXUJIKVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2.
What are the key properties of phenyl(2-phenylethoxy)borinic acid?
phenyl(2-phenylethoxy)borinic acid has a molecular weight of 226.08 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2-phenylethoxy)borinic acid is sourced from PubChem (CID 175423698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).