(2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid

C22H23BO3 — CID 57180944

IUPAC(2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid
SMILESCC(C)(OB(O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23BO3/c1-21(2,26-23(24)25)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,24-25H,1-2H3
InChIKeyKGSPEUVUSVLWCY-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.79
Rot. Bonds6

About (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid

(2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid (PubChem CID 57180944) has the molecular formula C22H23BO3 and a molecular weight of 346.24 g/mol. Its IUPAC name is (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid.

Molecular Properties

Compound Name(2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid
PubChem CID57180944
Molecular FormulaC22H23BO3
Molecular Weight346.24 g/mol
Exact Mass346.17
IUPAC Name(2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid
SMILESCC(C)(OB(O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23BO3/c1-21(2,26-23(24)25)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,24-25H,1-2H3
InChIKeyKGSPEUVUSVLWCY-UHFFFAOYSA-N
XLogP3.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)
CID 162197471
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
CID 177002326
CID 177002326
fluoro(trityloxy)borinic acid
CID 53443390
sodium;hydride;1,1,2-triphenylbutoxyboronic acid
CID 173273696
(1-amino-2-methylpropan-2-yl)oxyboronic acid;benzene-1,2-diol
CID 174857512
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
(3-tert-butylphenyl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 68674197
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid?
The IUPAC name of (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid (CID 57180944) is (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid.
What is the SMILES notation for (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid?
The canonical SMILES for (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid is CC(C)(OB(O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid?
The InChIKey is KGSPEUVUSVLWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BO3/c1-21(2,26-23(24)25)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,24-25H,1-2H3.
What are the key properties of (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid?
(2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid has a molecular weight of 346.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid is sourced from PubChem (CID 57180944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).