2-(4-trimethylsilylbenzoyl)benzoic acid

C17H18O3Si — CID 59081715

IUPAC2-(4-trimethylsilylbenzoyl)benzoic acid
SMILESC[Si](C)(C)c1ccc(C(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H18O3Si/c1-21(2,3)13-10-8-12(9-11-13)16(18)14-6-4-5-7-15(14)17(19)20/h4-11H,1-3H3,(H,19,20)
InChIKeyZKGKQHNAJICWPK-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-trimethylsilylbenzoyl)benzoic acid

2-(4-trimethylsilylbenzoyl)benzoic acid (PubChem CID 59081715) has the molecular formula C17H18O3Si and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(4-trimethylsilylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-trimethylsilylbenzoyl)benzoic acid
PubChem CID59081715
Molecular FormulaC17H18O3Si
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name2-(4-trimethylsilylbenzoyl)benzoic acid
SMILESC[Si](C)(C)c1ccc(C(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H18O3Si/c1-21(2,3)13-10-8-12(9-11-13)16(18)14-6-4-5-7-15(14)17(19)20/h4-11H,1-3H3,(H,19,20)
InChIKeyZKGKQHNAJICWPK-UHFFFAOYSA-N
XLogP3.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzoylbenzoic acid;hydrofluoride
CID 70485904
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
2-[4-(trihydroxy-λ4-sulfanyl)benzoyl]benzoic acid
CID 59081839
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
2-(4-morpholin-4-ylbenzoyl)benzoic acid
CID 20536938
2-(3-tert-butyl-4-hydroxybenzoyl)benzoic acid
CID 139838866
phthalic acid;silicic acid
CID 159320374
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
CID 66717184
CID 66717184

Frequently Asked Questions

What is the IUPAC name of 2-(4-trimethylsilylbenzoyl)benzoic acid?
The IUPAC name of 2-(4-trimethylsilylbenzoyl)benzoic acid (CID 59081715) is 2-(4-trimethylsilylbenzoyl)benzoic acid.
What is the SMILES notation for 2-(4-trimethylsilylbenzoyl)benzoic acid?
The canonical SMILES for 2-(4-trimethylsilylbenzoyl)benzoic acid is C[Si](C)(C)c1ccc(C(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-trimethylsilylbenzoyl)benzoic acid?
The InChIKey is ZKGKQHNAJICWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3Si/c1-21(2,3)13-10-8-12(9-11-13)16(18)14-6-4-5-7-15(14)17(19)20/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-(4-trimethylsilylbenzoyl)benzoic acid?
2-(4-trimethylsilylbenzoyl)benzoic acid has a molecular weight of 298.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-trimethylsilylbenzoyl)benzoic acid is sourced from PubChem (CID 59081715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).