bis(4-methylphenyl)borinic acid

C14H15BO — CID 13144197

IUPACbis(4-methylphenyl)borinic acid
SMILESCc1ccc(B(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H15BO/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3
InChIKeyZJHMSSYDWCPSFN-UHFFFAOYSA-N
MW210.08 g/mol
LogP1.40
Rot. Bonds2

About bis(4-methylphenyl)borinic acid

bis(4-methylphenyl)borinic acid (PubChem CID 13144197) has the molecular formula C14H15BO and a molecular weight of 210.08 g/mol. Its IUPAC name is bis(4-methylphenyl)borinic acid.

Molecular Properties

Compound Namebis(4-methylphenyl)borinic acid
PubChem CID13144197
Molecular FormulaC14H15BO
Molecular Weight210.08 g/mol
Exact Mass210.12
IUPAC Namebis(4-methylphenyl)borinic acid
SMILESCc1ccc(B(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H15BO/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3
InChIKeyZJHMSSYDWCPSFN-UHFFFAOYSA-N
XLogP1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 bis(4-methylphenyl)borinic acid?
The IUPAC name of bis(4-methylphenyl)borinic acid (CID 13144197) is bis(4-methylphenyl)borinic acid.
What is the SMILES notation for bis(4-methylphenyl)borinic acid?
The canonical SMILES for bis(4-methylphenyl)borinic acid is Cc1ccc(B(O)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl)borinic acid?
The InChIKey is ZJHMSSYDWCPSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3.
What are the key properties of bis(4-methylphenyl)borinic acid?
bis(4-methylphenyl)borinic acid has a molecular weight of 210.08 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)borinic acid is sourced from PubChem (CID 13144197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).