4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol

C12H19IO3Si — CID 140903839

IUPAC4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol
SMILESC[Si](C)(C)CCOCOc1cc(I)ccc1O
InChIInChI=1S/C12H19IO3Si/c1-17(2,3)7-6-15-9-16-12-8-10(13)4-5-11(12)14/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyYMGUULAJRQETIM-UHFFFAOYSA-N
MW366.27 g/mol
LogP3.69
Rot. Bonds6

About 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol

4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol (PubChem CID 140903839) has the molecular formula C12H19IO3Si and a molecular weight of 366.27 g/mol. Its IUPAC name is 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol.

Molecular Properties

Compound Name4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol
PubChem CID140903839
Molecular FormulaC12H19IO3Si
Molecular Weight366.27 g/mol
Exact Mass366.01
IUPAC Name4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol
SMILESC[Si](C)(C)CCOCOc1cc(I)ccc1O
InChIInChI=1S/C12H19IO3Si/c1-17(2,3)7-6-15-9-16-12-8-10(13)4-5-11(12)14/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyYMGUULAJRQETIM-UHFFFAOYSA-N
XLogP3.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 53.69
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
CID 159501302
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
4-iodo-2-prop-2-enoxyphenol
CID 121430000
trimethyl-[2-[[2-(trifluoromethyl)phenoxy]methoxy]ethyl]silane
CID 177342967
2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
CID 158102825
2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 158102826
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
2-[[2-(1-cyclopropylideneethyl)-5-methylphenoxy]methoxy]ethyl-trimethylsilane
CID 10859695
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
2-[(4-ethenyl-2-ethoxyphenoxy)methoxy]ethyl-trimethylsilane
CID 168749605
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
1-bromo-2-(ethoxymethoxy)-4-iodobenzene
CID 168973404

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol?
The IUPAC name of 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol (CID 140903839) is 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol.
What is the SMILES notation for 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol?
The canonical SMILES for 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol is C[Si](C)(C)CCOCOc1cc(I)ccc1O.
What is the InChIKey of 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol?
The InChIKey is YMGUULAJRQETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IO3Si/c1-17(2,3)7-6-15-9-16-12-8-10(13)4-5-11(12)14/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol?
4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol has a molecular weight of 366.27 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol is sourced from PubChem (CID 140903839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).