4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium

C24H32N4O4+2 — CID 102526258

IUPAC4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium
SMILESCC(COC(C)COCc1ccc([N+]#N)cc1)COC(C)COCc1ccc([N+]#N)cc1
InChIInChI=1S/C24H32N4O4/c1-18(12-31-19(2)14-29-16-21-4-8-23(27-25)9-5-21)13-32-20(3)15-30-17-22-6-10-24(28-26)11-7-22/h4-11,18-20H,12-17H2,1-3H3/q+2
InChIKeyIUGRFGKSVOWLCE-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.84
Rot. Bonds14

About 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium

4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium (PubChem CID 102526258) has the molecular formula C24H32N4O4+2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium.

Molecular Properties

Compound Name4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium
PubChem CID102526258
Molecular FormulaC24H32N4O4+2
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium
SMILESCC(COC(C)COCc1ccc([N+]#N)cc1)COC(C)COCc1ccc([N+]#N)cc1
InChIInChI=1S/C24H32N4O4/c1-18(12-31-19(2)14-29-16-21-4-8-23(27-25)9-5-21)13-32-20(3)15-30-17-22-6-10-24(28-26)11-7-22/h4-11,18-20H,12-17H2,1-3H3/q+2
InChIKeyIUGRFGKSVOWLCE-UHFFFAOYSA-N
XLogP5.84
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
4-(2-methylbutoxymethyl)aniline
CID 62103627
4-bromo-1-[(2R)-1-[(2S)-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]pyrazole
CID 170648527
1-[(4-methylphenyl)methoxy]propan-2-yl formate
CID 58861581
4-(2-methylpropoxymethyl)phenol
CID 11159667
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
bis[1-[(4-chlorophenyl)methoxy]propan-2-yl] hydrogen phosphate
CID 21023152
(1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine
CID 130242446
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium?
The IUPAC name of 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium (CID 102526258) is 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium.
What is the SMILES notation for 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium?
The canonical SMILES for 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium is CC(COC(C)COCc1ccc([N+]#N)cc1)COC(C)COCc1ccc([N+]#N)cc1.
What is the InChIKey of 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium?
The InChIKey is IUGRFGKSVOWLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-18(12-31-19(2)14-29-16-21-4-8-23(27-25)9-5-21)13-32-20(3)15-30-17-22-6-10-24(28-26)11-7-22/h4-11,18-20H,12-17H2,1-3H3/q+2.
What are the key properties of 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium?
4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium has a molecular weight of 440.54 g/mol, XLogP of 5.84, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[1-[(4-diazoniophenyl)methoxy]propan-2-yloxy]-2-methylpropoxy]propoxymethyl]benzenediazonium is sourced from PubChem (CID 102526258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).