3-silylpropyl 2-hydroxy-4-iodobenzoate

C10H13IO3Si — CID 162159674

IUPAC3-silylpropyl 2-hydroxy-4-iodobenzoate
SMILESO=C(OCCC[SiH3])c1ccc(I)cc1O
InChIInChI=1S/C10H13IO3Si/c11-7-2-3-8(9(12)6-7)10(13)14-4-1-5-15/h2-3,6,12H,1,4-5H2,15H3
InChIKeyNTWXLVHWGKRLFV-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.33
Rot. Bonds4

About 3-silylpropyl 2-hydroxy-4-iodobenzoate

3-silylpropyl 2-hydroxy-4-iodobenzoate (PubChem CID 162159674) has the molecular formula C10H13IO3Si and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-silylpropyl 2-hydroxy-4-iodobenzoate.

Molecular Properties

Compound Name3-silylpropyl 2-hydroxy-4-iodobenzoate
PubChem CID162159674
Molecular FormulaC10H13IO3Si
Molecular Weight336.20 g/mol
Exact Mass335.97
IUPAC Name3-silylpropyl 2-hydroxy-4-iodobenzoate
SMILESO=C(OCCC[SiH3])c1ccc(I)cc1O
InChIInChI=1S/C10H13IO3Si/c11-7-2-3-8(9(12)6-7)10(13)14-4-1-5-15/h2-3,6,12H,1,4-5H2,15H3
InChIKeyNTWXLVHWGKRLFV-UHFFFAOYSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 51.33
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-silylpropyl 3-hydroxy-2-iodobenzoate
CID 162159681
3-silylpropyl 2-iodo-4-methylbenzoate
CID 157154881
argon;methyl 2-hydroxy-4-iodobenzoate
CID 159067231
4-hydroxybutyl 4-amino-2-hydroxybenzoate
CID 121220712
5-hydroxypentyl 4-amino-2-hydroxybenzoate
CID 121013033
2-O-ethyl 1-O-(4-methylpentyl) 4-iodobenzene-1,2-dicarboxylate
CID 23502266
dibutyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 11109672
4-methylpentyl 4-amino-2-hydroxybenzoate
CID 61304479
bis(2-butoxyethyl) 4-iodobenzene-1,2-dicarboxylate
CID 125479234
3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
CID 139593761
butyl 2,4,5-trihydroxybenzoate
CID 139941755

Frequently Asked Questions

What is the IUPAC name of 3-silylpropyl 2-hydroxy-4-iodobenzoate?
The IUPAC name of 3-silylpropyl 2-hydroxy-4-iodobenzoate (CID 162159674) is 3-silylpropyl 2-hydroxy-4-iodobenzoate.
What is the SMILES notation for 3-silylpropyl 2-hydroxy-4-iodobenzoate?
The canonical SMILES for 3-silylpropyl 2-hydroxy-4-iodobenzoate is O=C(OCCC[SiH3])c1ccc(I)cc1O.
What is the InChIKey of 3-silylpropyl 2-hydroxy-4-iodobenzoate?
The InChIKey is NTWXLVHWGKRLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3Si/c11-7-2-3-8(9(12)6-7)10(13)14-4-1-5-15/h2-3,6,12H,1,4-5H2,15H3.
What are the key properties of 3-silylpropyl 2-hydroxy-4-iodobenzoate?
3-silylpropyl 2-hydroxy-4-iodobenzoate has a molecular weight of 336.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropyl 2-hydroxy-4-iodobenzoate is sourced from PubChem (CID 162159674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).