ethoxy(phenyl)borinic acid

C8H11BO2 — CID 67134240

IUPACethoxy(phenyl)borinic acid
SMILESCCOB(O)c1ccccc1
InChIInChI=1S/C8H11BO2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3
InChIKeyOFYFDTQMBRUJHN-UHFFFAOYSA-N
MW149.99 g/mol
LogP0.41
Rot. Bonds3

About ethoxy(phenyl)borinic acid

ethoxy(phenyl)borinic acid (PubChem CID 67134240) has the molecular formula C8H11BO2 and a molecular weight of 149.99 g/mol. Its IUPAC name is ethoxy(phenyl)borinic acid.

Molecular Properties

Compound Nameethoxy(phenyl)borinic acid
PubChem CID67134240
Molecular FormulaC8H11BO2
Molecular Weight149.99 g/mol
Exact Mass150.09
IUPAC Nameethoxy(phenyl)borinic acid
SMILESCCOB(O)c1ccccc1
InChIInChI=1S/C8H11BO2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3
InChIKeyOFYFDTQMBRUJHN-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.99
LogP ≤ 50.41
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 ethoxy(phenyl)borinic acid?
The IUPAC name of ethoxy(phenyl)borinic acid (CID 67134240) is ethoxy(phenyl)borinic acid.
What is the SMILES notation for ethoxy(phenyl)borinic acid?
The canonical SMILES for ethoxy(phenyl)borinic acid is CCOB(O)c1ccccc1.
What is the InChIKey of ethoxy(phenyl)borinic acid?
The InChIKey is OFYFDTQMBRUJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3.
What are the key properties of ethoxy(phenyl)borinic acid?
ethoxy(phenyl)borinic acid has a molecular weight of 149.99 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(phenyl)borinic acid is sourced from PubChem (CID 67134240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).