4-[phenoxy(diphenyl)silyl]benzoic acid

C25H20O3Si — CID 170552202

IUPAC4-[phenoxy(diphenyl)silyl]benzoic acid
SMILESO=C(O)c1ccc([Si](Oc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20O3Si/c26-25(27)20-16-18-24(19-17-20)29(22-12-6-2-7-13-22,23-14-8-3-9-15-23)28-21-10-4-1-5-11-21/h1-19H,(H,26,27)
InChIKeyVQGGZFBOECSSHM-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.43
Rot. Bonds6

About 4-[phenoxy(diphenyl)silyl]benzoic acid

4-[phenoxy(diphenyl)silyl]benzoic acid (PubChem CID 170552202) has the molecular formula C25H20O3Si and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-[phenoxy(diphenyl)silyl]benzoic acid.

Molecular Properties

Compound Name4-[phenoxy(diphenyl)silyl]benzoic acid
PubChem CID170552202
Molecular FormulaC25H20O3Si
Molecular Weight396.52 g/mol
Exact Mass396.12
IUPAC Name4-[phenoxy(diphenyl)silyl]benzoic acid
SMILESO=C(O)c1ccc([Si](Oc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20O3Si/c26-25(27)20-16-18-24(19-17-20)29(22-12-6-2-7-13-22,23-14-8-3-9-15-23)28-21-10-4-1-5-11-21/h1-19H,(H,26,27)
InChIKeyVQGGZFBOECSSHM-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

triphenyl-(4-triphenylsilyloxyphenoxy)silane
CID 86209033
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
4-phenoxybenzoic acid;hydrochloride
CID 70385625
benzoic acid;chromium
CID 139063467
chromium;terephthalic acid
CID 87187082
terephthalic acid
CID 160582437
Lithium benzoate, 99%
CID 57451198
benzoic acid;trihydrate
CID 157398339
benzoic acid;zirconium
CID 173089080
CID 87293530
CID 87293530
CID 87090637
CID 87090637
cyclodecapentaenecarboxylic acid;methane
CID 162272407

Frequently Asked Questions

What is the IUPAC name of 4-[phenoxy(diphenyl)silyl]benzoic acid?
The IUPAC name of 4-[phenoxy(diphenyl)silyl]benzoic acid (CID 170552202) is 4-[phenoxy(diphenyl)silyl]benzoic acid.
What is the SMILES notation for 4-[phenoxy(diphenyl)silyl]benzoic acid?
The canonical SMILES for 4-[phenoxy(diphenyl)silyl]benzoic acid is O=C(O)c1ccc([Si](Oc2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[phenoxy(diphenyl)silyl]benzoic acid?
The InChIKey is VQGGZFBOECSSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3Si/c26-25(27)20-16-18-24(19-17-20)29(22-12-6-2-7-13-22,23-14-8-3-9-15-23)28-21-10-4-1-5-11-21/h1-19H,(H,26,27).
What are the key properties of 4-[phenoxy(diphenyl)silyl]benzoic acid?
4-[phenoxy(diphenyl)silyl]benzoic acid has a molecular weight of 396.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenoxy(diphenyl)silyl]benzoic acid is sourced from PubChem (CID 170552202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).