2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium

C18H20N4O2+2 — CID 56609163

IUPAC2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium
SMILESCC(C)Oc1cccc(-c2ccc([N+]#N)c(OC(C)C)c2[N+]#N)c1
InChIInChI=1S/C18H20N4O2/c1-11(2)23-14-7-5-6-13(10-14)15-8-9-16(21-19)18(17(15)22-20)24-12(3)4/h5-12H,1-4H3/q+2
InChIKeyJOSGFUPGPLWJTD-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.90
Rot. Bonds5

About 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium

2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium (PubChem CID 56609163) has the molecular formula C18H20N4O2+2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium.

Molecular Properties

Compound Name2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium
PubChem CID56609163
Molecular FormulaC18H20N4O2+2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium
SMILESCC(C)Oc1cccc(-c2ccc([N+]#N)c(OC(C)C)c2[N+]#N)c1
InChIInChI=1S/C18H20N4O2/c1-11(2)23-14-7-5-6-13(10-14)15-8-9-16(21-19)18(17(15)22-20)24-12(3)4/h5-12H,1-4H3/q+2
InChIKeyJOSGFUPGPLWJTD-UHFFFAOYSA-N
XLogP5.90
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium 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

5-fluoro-2-(3-propan-2-yloxyphenyl)phenol
CID 83130979
3-chloro-4-(3-propan-2-yloxyphenyl)benzaldehyde
CID 114076469
4-(3-propan-2-yloxyphenyl)benzenethiol
CID 91656133
4-methoxy-2-(3-propan-2-yloxyphenyl)phenol
CID 104707355
3-methyl-5-(3-propan-2-yloxyphenyl)aniline
CID 107579616
1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
CID 172649649
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine
CID 105409209
2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
CID 56719109
3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82467053
2-fluoro-4-(3-propan-2-yloxyphenyl)phenol
CID 83130174

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium?
The IUPAC name of 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium (CID 56609163) is 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium.
What is the SMILES notation for 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium?
The canonical SMILES for 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium is CC(C)Oc1cccc(-c2ccc([N+]#N)c(OC(C)C)c2[N+]#N)c1.
What is the InChIKey of 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium?
The InChIKey is JOSGFUPGPLWJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(2)23-14-7-5-6-13(10-14)15-8-9-16(21-19)18(17(15)22-20)24-12(3)4/h5-12H,1-4H3/q+2.
What are the key properties of 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium?
2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium has a molecular weight of 324.38 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-(3-propan-2-yloxyphenyl)benzene-1,3-didiazonium is sourced from PubChem (CID 56609163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).