(2-hydroxy-3-trimethylsilylphenyl)boronic acid

C9H15BO3Si — CID 130141864

IUPAC(2-hydroxy-3-trimethylsilylphenyl)boronic acid
SMILESC[Si](C)(C)c1cccc(B(O)O)c1O
InChIInChI=1S/C9H15BO3Si/c1-14(2,3)8-6-4-5-7(9(8)11)10(12)13/h4-6,11-13H,1-3H3
InChIKeyXDPSTFAGCCWTRR-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.38
Rot. Bonds2

About (2-hydroxy-3-trimethylsilylphenyl)boronic acid

(2-hydroxy-3-trimethylsilylphenyl)boronic acid (PubChem CID 130141864) has the molecular formula C9H15BO3Si and a molecular weight of 210.11 g/mol. Its IUPAC name is (2-hydroxy-3-trimethylsilylphenyl)boronic acid.

Molecular Properties

Compound Name(2-hydroxy-3-trimethylsilylphenyl)boronic acid
PubChem CID130141864
Molecular FormulaC9H15BO3Si
Molecular Weight210.11 g/mol
Exact Mass210.09
IUPAC Name(2-hydroxy-3-trimethylsilylphenyl)boronic acid
SMILESC[Si](C)(C)c1cccc(B(O)O)c1O
InChIInChI=1S/C9H15BO3Si/c1-14(2,3)8-6-4-5-7(9(8)11)10(12)13/h4-6,11-13H,1-3H3
InChIKeyXDPSTFAGCCWTRR-UHFFFAOYSA-N
XLogP-0.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2-hydroxy-3-trimethylsilylphenyl)boronic acid?
The IUPAC name of (2-hydroxy-3-trimethylsilylphenyl)boronic acid (CID 130141864) is (2-hydroxy-3-trimethylsilylphenyl)boronic acid.
What is the SMILES notation for (2-hydroxy-3-trimethylsilylphenyl)boronic acid?
The canonical SMILES for (2-hydroxy-3-trimethylsilylphenyl)boronic acid is C[Si](C)(C)c1cccc(B(O)O)c1O.
What is the InChIKey of (2-hydroxy-3-trimethylsilylphenyl)boronic acid?
The InChIKey is XDPSTFAGCCWTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BO3Si/c1-14(2,3)8-6-4-5-7(9(8)11)10(12)13/h4-6,11-13H,1-3H3.
What are the key properties of (2-hydroxy-3-trimethylsilylphenyl)boronic acid?
(2-hydroxy-3-trimethylsilylphenyl)boronic acid has a molecular weight of 210.11 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-trimethylsilylphenyl)boronic acid is sourced from PubChem (CID 130141864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).