4-[dimethyl(phenyl)silyl]benzoic acid

C15H16O2Si — CID 142466925

IUPAC4-[dimethyl(phenyl)silyl]benzoic acid
SMILESC[Si](C)(c1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H16O2Si/c1-18(2,13-6-4-3-5-7-13)14-10-8-12(9-11-14)15(16)17/h3-11H,1-2H3,(H,16,17)
InChIKeyHNNRMLIYKXDJBX-UHFFFAOYSA-N
MW256.38 g/mol
LogP2.21
Rot. Bonds3

About 4-[dimethyl(phenyl)silyl]benzoic acid

4-[dimethyl(phenyl)silyl]benzoic acid (PubChem CID 142466925) has the molecular formula C15H16O2Si and a molecular weight of 256.38 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]benzoic acid.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]benzoic acid
PubChem CID142466925
Molecular FormulaC15H16O2Si
Molecular Weight256.38 g/mol
Exact Mass256.09
IUPAC Name4-[dimethyl(phenyl)silyl]benzoic acid
SMILESC[Si](C)(c1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H16O2Si/c1-18(2,13-6-4-3-5-7-13)14-10-8-12(9-11-14)15(16)17/h3-11H,1-2H3,(H,16,17)
InChIKeyHNNRMLIYKXDJBX-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 52.21
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

3-[dimethyl(phenyl)silyl]benzoic acid
CID 134100094
4-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]benzoic acid
CID 20584029
4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
CID 102014802
4-[phenoxy(diphenyl)silyl]benzoic acid
CID 170552202
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
benzoic acid;methanol
CID 67901482
(E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one
CID 177469441
terephthalic acid
CID 160582437
4-[dimethyl(phenyl)silyl]phenol
CID 12582127
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
benzoic acid;methanamine
CID 158244769
Lithium benzoate, 99%
CID 57451198

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]benzoic acid?
The IUPAC name of 4-[dimethyl(phenyl)silyl]benzoic acid (CID 142466925) is 4-[dimethyl(phenyl)silyl]benzoic acid.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]benzoic acid?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]benzoic acid is C[Si](C)(c1ccccc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]benzoic acid?
The InChIKey is HNNRMLIYKXDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2Si/c1-18(2,13-6-4-3-5-7-13)14-10-8-12(9-11-14)15(16)17/h3-11H,1-2H3,(H,16,17).
What are the key properties of 4-[dimethyl(phenyl)silyl]benzoic acid?
4-[dimethyl(phenyl)silyl]benzoic acid has a molecular weight of 256.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]benzoic acid is sourced from PubChem (CID 142466925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).