2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol

C19H25N3O5Si — CID 135703983

IUPAC2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol
SMILESCOc1ccc(/N=N/c2ccc(OCCC[Si](C)(C)C)cc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H25N3O5Si/c1-26-14-6-8-16(18(12-14)22(24)25)20-21-17-9-7-15(13-19(17)23)27-10-5-11-28(2,3)4/h6-9,12-13,23H,5,10-11H2,1-4H3/b21-20+
InChIKeyNFQDXPVODRHPPZ-QZQOTICOSA-N
MW403.51 g/mol
LogP5.83
Rot. Bonds9

About 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol

2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol (PubChem CID 135703983) has the molecular formula C19H25N3O5Si and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol.

Molecular Properties

Compound Name2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol
PubChem CID135703983
Molecular FormulaC19H25N3O5Si
Molecular Weight403.51 g/mol
Exact Mass403.16
IUPAC Name2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol
SMILESCOc1ccc(/N=N/c2ccc(OCCC[Si](C)(C)C)cc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H25N3O5Si/c1-26-14-6-8-16(18(12-14)22(24)25)20-21-17-9-7-15(13-19(17)23)27-10-5-11-28(2,3)4/h6-9,12-13,23H,5,10-11H2,1-4H3/b21-20+
InChIKeyNFQDXPVODRHPPZ-QZQOTICOSA-N
XLogP5.83
TPSA106.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.83
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)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

2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol
CID 136827510
2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene
CID 136592114
ethane;5-methoxy-2-nitrophenol
CID 143133372
4-[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]phenoxy]butyl 2-methylprop-2-enoate
CID 155797964
(E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide
CID 135624063
4-methoxy-2-nitro-1-(sulfonylamino)benzene
CID 174785505
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
N-[2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]-1-[4-[(4-methoxy-2-nitrophenyl)diazenyl]phenyl]ethanamine
CID 135220913
4-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
CID 59771362
CID 59771362

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol?
The IUPAC name of 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol (CID 135703983) is 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol.
What is the SMILES notation for 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol?
The canonical SMILES for 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol is COc1ccc(/N=N/c2ccc(OCCC[Si](C)(C)C)cc2O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol?
The InChIKey is NFQDXPVODRHPPZ-QZQOTICOSA-N. The full InChI is InChI=1S/C19H25N3O5Si/c1-26-14-6-8-16(18(12-14)22(24)25)20-21-17-9-7-15(13-19(17)23)27-10-5-11-28(2,3)4/h6-9,12-13,23H,5,10-11H2,1-4H3/b21-20+.
What are the key properties of 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol?
2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol has a molecular weight of 403.51 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol is sourced from PubChem (CID 135703983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).