bis(4-methylphenyl)borinic acid;methane

C15H19BO — CID 158859792

IUPACbis(4-methylphenyl)borinic acid;methane
SMILESC.Cc1ccc(B(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H15BO.CH4/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;/h3-10,16H,1-2H3;1H4
InChIKeyJANACZAPGIRMFW-UHFFFAOYSA-N
MW226.13 g/mol
LogP2.04
Rot. Bonds2

About bis(4-methylphenyl)borinic acid;methane

bis(4-methylphenyl)borinic acid;methane (PubChem CID 158859792) has the molecular formula C15H19BO and a molecular weight of 226.13 g/mol. Its IUPAC name is bis(4-methylphenyl)borinic acid;methane.

Molecular Properties

Compound Namebis(4-methylphenyl)borinic acid;methane
PubChem CID158859792
Molecular FormulaC15H19BO
Molecular Weight226.13 g/mol
Exact Mass226.15
IUPAC Namebis(4-methylphenyl)borinic acid;methane
SMILESC.Cc1ccc(B(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H15BO.CH4/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;/h3-10,16H,1-2H3;1H4
InChIKeyJANACZAPGIRMFW-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)-phenylborinic acid
CID 143940886
ethane;(4-methylphenyl)boronic acid;1,4-xylene
CID 160827114
(4-methylphenyl)-(4-phenoxyphenyl)borinic acid
CID 140548117
(3-ethylphenyl)-(4-methylphenyl)borinic acid
CID 58413893
methane;pentakis(1,4-xylene)
CID 160760083
(4-methylphenyl)boronic acid;sulfur monoxide
CID 177162052
hydroperoxy-(4-methylphenyl)borinic acid
CID 20750205
1-bromo-4-methylbenzene;(4-methylphenyl)boronic acid
CID 158098568
methylperoxy-(4-methylphenyl)borinic acid
CID 141178480
(4-methylphenyl)-dioxidoborane
CID 18427408
boric acid;4-methylphenol
CID 67912006
(4-methylphenyl)-[4-(2-phenylethoxymethyl)phenyl]borinic acid
CID 142235021

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)borinic acid;methane?
The IUPAC name of bis(4-methylphenyl)borinic acid;methane (CID 158859792) is bis(4-methylphenyl)borinic acid;methane.
What is the SMILES notation for bis(4-methylphenyl)borinic acid;methane?
The canonical SMILES for bis(4-methylphenyl)borinic acid;methane is C.Cc1ccc(B(O)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl)borinic acid;methane?
The InChIKey is JANACZAPGIRMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO.CH4/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;/h3-10,16H,1-2H3;1H4.
What are the key properties of bis(4-methylphenyl)borinic acid;methane?
bis(4-methylphenyl)borinic acid;methane has a molecular weight of 226.13 g/mol, XLogP of 2.04, 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;methane is sourced from PubChem (CID 158859792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).