4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol

C21H30N2O5Si — CID 137240522

IUPAC4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
SMILESCCO[Si](CCCOc1ccc(/N=N/c2ccc(O)cc2)cc1)(OCC)OCC
InChIInChI=1S/C21H30N2O5Si/c1-4-26-29(27-5-2,28-6-3)17-7-16-25-21-14-10-19(11-15-21)23-22-18-8-12-20(24)13-9-18/h8-15,24H,4-7,16-17H2,1-3H3/b23-22+
InChIKeyLIFMVDWTXNIFKJ-GHVJWSGMSA-N
MW418.57 g/mol
LogP5.62
Rot. Bonds13

About 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol

4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol (PubChem CID 137240522) has the molecular formula C21H30N2O5Si and a molecular weight of 418.57 g/mol. Its IUPAC name is 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
PubChem CID137240522
Molecular FormulaC21H30N2O5Si
Molecular Weight418.57 g/mol
Exact Mass418.19
IUPAC Name4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
SMILESCCO[Si](CCCOc1ccc(/N=N/c2ccc(O)cc2)cc1)(OCC)OCC
InChIInChI=1S/C21H30N2O5Si/c1-4-26-29(27-5-2,28-6-3)17-7-16-25-21-14-10-19(11-15-21)23-22-18-8-12-20(24)13-9-18/h8-15,24H,4-7,16-17H2,1-3H3/b23-22+
InChIKeyLIFMVDWTXNIFKJ-GHVJWSGMSA-N
XLogP5.62
TPSA81.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]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-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium
CID 102511384
4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol
CID 177434524
1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine
CID 102598751
triethoxy(5-phenoxypentyl)silane
CID 69261827
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
CID 139829561
hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
CID 123925511
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
CID 136754074
bis(4-heptoxyphenyl)diazene
CID 13087198
3-[4-[4-[8-(3-triethoxysilylpropoxy)octoxy]phenyl]phenoxy]propane-1-thiol
CID 91319392

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol?
The IUPAC name of 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol (CID 137240522) is 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol.
What is the SMILES notation for 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol?
The canonical SMILES for 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol is CCO[Si](CCCOc1ccc(/N=N/c2ccc(O)cc2)cc1)(OCC)OCC.
What is the InChIKey of 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol?
The InChIKey is LIFMVDWTXNIFKJ-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H30N2O5Si/c1-4-26-29(27-5-2,28-6-3)17-7-16-25-21-14-10-19(11-15-21)23-22-18-8-12-20(24)13-9-18/h8-15,24H,4-7,16-17H2,1-3H3/b23-22+.
What are the key properties of 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol?
4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol has a molecular weight of 418.57 g/mol, XLogP of 5.62, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol is sourced from PubChem (CID 137240522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).