[4-(2-hydroxypropan-2-yl)phenyl]borinic acid

C9H13BO2 — CID 166552636

IUPAC[4-(2-hydroxypropan-2-yl)phenyl]borinic acid
SMILESCC(C)(O)c1ccc(BO)cc1
InChIInChI=1S/C9H13BO2/c1-9(2,11)7-3-5-8(10-12)6-4-7/h3-6,10-12H,1-2H3
InChIKeyXJVDOQWXPHWLBL-UHFFFAOYSA-N
MW164.01 g/mol
LogP-0.12
Rot. Bonds2

About [4-(2-hydroxypropan-2-yl)phenyl]borinic acid

[4-(2-hydroxypropan-2-yl)phenyl]borinic acid (PubChem CID 166552636) has the molecular formula C9H13BO2 and a molecular weight of 164.01 g/mol. Its IUPAC name is [4-(2-hydroxypropan-2-yl)phenyl]borinic acid.

Molecular Properties

Compound Name[4-(2-hydroxypropan-2-yl)phenyl]borinic acid
PubChem CID166552636
Molecular FormulaC9H13BO2
Molecular Weight164.01 g/mol
Exact Mass164.10
IUPAC Name[4-(2-hydroxypropan-2-yl)phenyl]borinic acid
SMILESCC(C)(O)c1ccc(BO)cc1
InChIInChI=1S/C9H13BO2/c1-9(2,11)7-3-5-8(10-12)6-4-7/h3-6,10-12H,1-2H3
InChIKeyXJVDOQWXPHWLBL-UHFFFAOYSA-N
XLogP-0.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.01
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
2-(4-fluorophenyl)propan-2-ol
CID 637733
2-[4-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117297913
2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol
CID 71218460
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
[4-(2-hydroxypropan-2-yl)phenyl]boronic acid
CID 55267383
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 68722995
2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol
CID 134502373
2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropan-2-yl)phenyl]borinic acid?
The IUPAC name of [4-(2-hydroxypropan-2-yl)phenyl]borinic acid (CID 166552636) is [4-(2-hydroxypropan-2-yl)phenyl]borinic acid.
What is the SMILES notation for [4-(2-hydroxypropan-2-yl)phenyl]borinic acid?
The canonical SMILES for [4-(2-hydroxypropan-2-yl)phenyl]borinic acid is CC(C)(O)c1ccc(BO)cc1.
What is the InChIKey of [4-(2-hydroxypropan-2-yl)phenyl]borinic acid?
The InChIKey is XJVDOQWXPHWLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BO2/c1-9(2,11)7-3-5-8(10-12)6-4-7/h3-6,10-12H,1-2H3.
What are the key properties of [4-(2-hydroxypropan-2-yl)phenyl]borinic acid?
[4-(2-hydroxypropan-2-yl)phenyl]borinic acid has a molecular weight of 164.01 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropan-2-yl)phenyl]borinic acid is sourced from PubChem (CID 166552636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).