(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene

C16H17N3O3 — CID 171057593

IUPAC(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene
SMILESCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1C
InChIInChI=1S/C16H17N3O3/c1-10-5-6-13(15(7-10)19(20)21)17-18-14-9-16(22-4)12(3)8-11(14)2/h5-9H,1-4H3/b18-17+
InChIKeyURFYXMDEIQYWFF-ISLYRVAYSA-N
MW299.33 g/mol
LogP4.94
Rot. Bonds4

About (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene

(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene (PubChem CID 171057593) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene.

Molecular Properties

Compound Name(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene
PubChem CID171057593
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene
SMILESCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1C
InChIInChI=1S/C16H17N3O3/c1-10-5-6-13(15(7-10)19(20)21)17-18-14-9-16(22-4)12(3)8-11(14)2/h5-9H,1-4H3/b18-17+
InChIKeyURFYXMDEIQYWFF-ISLYRVAYSA-N
XLogP4.94
TPSA77.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.94
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 (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-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

2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline
CID 18987570
(4-diazenyl-5-methoxy-2-methylphenyl)-(4-methyl-2-nitrophenyl)diazene
CID 3312176
zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride
CID 170842341
[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene
CID 163798769
4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-methyl-N-propan-2-ylaniline
CID 118234425
2-[N-(2-hydroxyethyl)-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanolate
CID 176862758
4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol
CID 158902858
[4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene
CID 134530520
2-[N-butyl-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanol;ethane
CID 145172306
N-ethyl-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 166504462
1,4-dimethyl-2-nitrobenzene
CID 20849377
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene?
The IUPAC name of (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene (CID 171057593) is (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene.
What is the SMILES notation for (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene?
The canonical SMILES for (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene is COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1C.
What is the InChIKey of (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene?
The InChIKey is URFYXMDEIQYWFF-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-5-6-13(15(7-10)19(20)21)17-18-14-9-16(22-4)12(3)8-11(14)2/h5-9H,1-4H3/b18-17+.
What are the key properties of (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene?
(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene has a molecular weight of 299.33 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene is sourced from PubChem (CID 171057593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).