3-iodo-2-trimethylsilyloxybenzoic acid

C10H13IO3Si — CID 167722923

IUPAC3-iodo-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1c(I)cccc1C(=O)O
InChIInChI=1S/C10H13IO3Si/c1-15(2,3)14-9-7(10(12)13)5-4-6-8(9)11/h4-6H,1-3H3,(H,12,13)
InChIKeyIFPSOJKXKDYPAP-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.20
Rot. Bonds3

About 3-iodo-2-trimethylsilyloxybenzoic acid

3-iodo-2-trimethylsilyloxybenzoic acid (PubChem CID 167722923) has the molecular formula C10H13IO3Si and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-iodo-2-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name3-iodo-2-trimethylsilyloxybenzoic acid
PubChem CID167722923
Molecular FormulaC10H13IO3Si
Molecular Weight336.20 g/mol
Exact Mass335.97
IUPAC Name3-iodo-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1c(I)cccc1C(=O)O
InChIInChI=1S/C10H13IO3Si/c1-15(2,3)14-9-7(10(12)13)5-4-6-8(9)11/h4-6H,1-3H3,(H,12,13)
InChIKeyIFPSOJKXKDYPAP-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;3-iodo-2-iodooxybenzoic acid
CID 173171906
5-iodoanthracene-1-carboxylic acid
CID 139609518
lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride
CID 175209513
lithium;dihydrogen borate;2-fluorooxy-3-iodobenzoic acid
CID 158017376
2-amino-4-chloro-3-trimethylsilyloxybenzoic acid
CID 167731210
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2-ethyl-3-iodobenzoic acid
CID 22121847
1-(3-amino-2-trimethylsilyloxyphenyl)ethanone
CID 167720132
3-amino-2-(2-iodophenoxy)benzoic acid
CID 112579765
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
2-iodobenzene-1,3-dicarboxylic acid;dihydrochloride
CID 174964357
CID 175079027
CID 175079027

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-trimethylsilyloxybenzoic acid?
The IUPAC name of 3-iodo-2-trimethylsilyloxybenzoic acid (CID 167722923) is 3-iodo-2-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 3-iodo-2-trimethylsilyloxybenzoic acid?
The canonical SMILES for 3-iodo-2-trimethylsilyloxybenzoic acid is C[Si](C)(C)Oc1c(I)cccc1C(=O)O.
What is the InChIKey of 3-iodo-2-trimethylsilyloxybenzoic acid?
The InChIKey is IFPSOJKXKDYPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3Si/c1-15(2,3)14-9-7(10(12)13)5-4-6-8(9)11/h4-6H,1-3H3,(H,12,13).
What are the key properties of 3-iodo-2-trimethylsilyloxybenzoic acid?
3-iodo-2-trimethylsilyloxybenzoic acid has a molecular weight of 336.20 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167722923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).