[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene

C17H19N3O3 — CID 177395808

IUPAC[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
SMILESCC(C)CCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O3/c1-13(2)11-12-23-17-9-5-15(6-10-17)19-18-14-3-7-16(8-4-14)20(21)22/h3-10,13H,11-12H2,1-2H3/b19-18+
InChIKeyJOIODTXKECUYMF-VHEBQXMUSA-N
MW313.36 g/mol
LogP5.44
Rot. Bonds7

About [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene

[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene (PubChem CID 177395808) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
PubChem CID177395808
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
SMILESCC(C)CCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O3/c1-13(2)11-12-23-17-9-5-15(6-10-17)19-18-14-3-7-16(8-4-14)20(21)22/h3-10,13H,11-12H2,1-2H3/b19-18+
InChIKeyJOIODTXKECUYMF-VHEBQXMUSA-N
XLogP5.44
TPSA77.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene 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-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
CID 86173257
4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol
CID 177434524
N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine
CID 101457870
N,N-diethyl-6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexan-1-amine
CID 101077613
4-methyl-N-[2-(4-nitrophenoxy)ethyl]pentan-2-amine
CID 54915420
methyl-(4-nitrophenyl)diazene
CID 20760343
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
dihexyl (2S,3R)-2,3-bis[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxy]butanedioate
CID 102383801
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
[4-[(4-nitrophenyl)diazenyl]phenyl] 4-hexoxybenzoate
CID 101394284

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene?
The IUPAC name of [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene (CID 177395808) is [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene.
What is the SMILES notation for [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene?
The canonical SMILES for [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene is CC(C)CCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene?
The InChIKey is JOIODTXKECUYMF-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13(2)11-12-23-17-9-5-15(6-10-17)19-18-14-3-7-16(8-4-14)20(21)22/h3-10,13H,11-12H2,1-2H3/b19-18+.
What are the key properties of [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene?
[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene has a molecular weight of 313.36 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene is sourced from PubChem (CID 177395808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).