4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid

C22H22O4Si — CID 22949908

IUPAC4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid
SMILESC[Si](OCCOc1ccc(C(=O)O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O4Si/c1-27(20-8-4-2-5-9-20,21-10-6-3-7-11-21)26-17-16-25-19-14-12-18(13-15-19)22(23)24/h2-15H,16-17H2,1H3,(H,23,24)
InChIKeyUPBLRJFYIPGWLN-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.17
Rot. Bonds8

About 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid

4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid (PubChem CID 22949908) has the molecular formula C22H22O4Si and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid
PubChem CID22949908
Molecular FormulaC22H22O4Si
Molecular Weight378.50 g/mol
Exact Mass378.13
IUPAC Name4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid
SMILESC[Si](OCCOc1ccc(C(=O)O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O4Si/c1-27(20-8-4-2-5-9-20,21-10-6-3-7-11-21)26-17-16-25-19-14-12-18(13-15-19)22(23)24/h2-15H,16-17H2,1H3,(H,23,24)
InChIKeyUPBLRJFYIPGWLN-UHFFFAOYSA-N
XLogP3.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone
CID 87439861
4-[2-[(2-methylphenyl)methoxy]ethoxy]benzoic acid
CID 143158497
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one
CID 20820592
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
4-[2-(benzenesulfonyl)ethoxy]benzoic acid
CID 43532538

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid?
The IUPAC name of 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid (CID 22949908) is 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid?
The canonical SMILES for 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid is C[Si](OCCOc1ccc(C(=O)O)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid?
The InChIKey is UPBLRJFYIPGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4Si/c1-27(20-8-4-2-5-9-20,21-10-6-3-7-11-21)26-17-16-25-19-14-12-18(13-15-19)22(23)24/h2-15H,16-17H2,1H3,(H,23,24).
What are the key properties of 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid?
4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid has a molecular weight of 378.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid is sourced from PubChem (CID 22949908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).