(4-diphenylphosphanylphenyl)boronic acid

C18H16BO2P — CID 145340892

IUPAC(4-diphenylphosphanylphenyl)boronic acid
SMILESOB(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16BO2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20-21H
InChIKeyRWFHQVIXOZBUCA-UHFFFAOYSA-N
MW306.11 g/mol
LogP1.12
Rot. Bonds4

About (4-diphenylphosphanylphenyl)boronic acid

(4-diphenylphosphanylphenyl)boronic acid (PubChem CID 145340892) has the molecular formula C18H16BO2P and a molecular weight of 306.11 g/mol. Its IUPAC name is (4-diphenylphosphanylphenyl)boronic acid.

Molecular Properties

Compound Name(4-diphenylphosphanylphenyl)boronic acid
PubChem CID145340892
Molecular FormulaC18H16BO2P
Molecular Weight306.11 g/mol
Exact Mass306.10
IUPAC Name(4-diphenylphosphanylphenyl)boronic acid
SMILESOB(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16BO2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20-21H
InChIKeyRWFHQVIXOZBUCA-UHFFFAOYSA-N
XLogP1.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

boric acid;triphenylphosphane
CID 173323232
triphenylphosphane
CID 139056248
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
nickel;tetrakis(triphenylphosphane)
CID 161328494
platinum;triphenylphosphane
CID 159264630

Frequently Asked Questions

What is the IUPAC name of (4-diphenylphosphanylphenyl)boronic acid?
The IUPAC name of (4-diphenylphosphanylphenyl)boronic acid (CID 145340892) is (4-diphenylphosphanylphenyl)boronic acid.
What is the SMILES notation for (4-diphenylphosphanylphenyl)boronic acid?
The canonical SMILES for (4-diphenylphosphanylphenyl)boronic acid is OB(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-diphenylphosphanylphenyl)boronic acid?
The InChIKey is RWFHQVIXOZBUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BO2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20-21H.
What are the key properties of (4-diphenylphosphanylphenyl)boronic acid?
(4-diphenylphosphanylphenyl)boronic acid has a molecular weight of 306.11 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diphenylphosphanylphenyl)boronic acid is sourced from PubChem (CID 145340892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).