1-ethyl-4-nitrobenzene;tungsten

C8H8NO2W- — CID 58858101

IUPAC1-ethyl-4-nitrobenzene;tungsten
SMILES[CH2-]Cc1ccc([N+](=O)[O-])cc1.[W]
InChIInChI=1S/C8H8NO2.W/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,1-2H2;/q-1;
InChIKeyYBAFYHZLAQOUGV-UHFFFAOYSA-N
MW334.00 g/mol
LogP1.97
Rot. Bonds2

About 1-ethyl-4-nitrobenzene;tungsten

1-ethyl-4-nitrobenzene;tungsten (PubChem CID 58858101) has the molecular formula C8H8NO2W- and a molecular weight of 334.00 g/mol. Its IUPAC name is 1-ethyl-4-nitrobenzene;tungsten.

Molecular Properties

Compound Name1-ethyl-4-nitrobenzene;tungsten
PubChem CID58858101
Molecular FormulaC8H8NO2W-
Molecular Weight334.00 g/mol
Exact Mass334.01
IUPAC Name1-ethyl-4-nitrobenzene;tungsten
SMILES[CH2-]Cc1ccc([N+](=O)[O-])cc1.[W]
InChIInChI=1S/C8H8NO2.W/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,1-2H2;/q-1;
InChIKeyYBAFYHZLAQOUGV-UHFFFAOYSA-N
XLogP1.97
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-4-nitrobenzene;tungsten 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

1,4-bis[(4-nitrophenyl)methylsulfanylmethyl]benzene
CID 10365975
azane;1-ethyl-4-nitrobenzene
CID 19043225
bis[(4-nitrophenyl)methyl]-oxophosphanium
CID 22169102
dideuterio-(4-nitrophenyl)methanol
CID 10241023
CID 69274468
CID 69274468
potassium 2-(4-nitrophenyl)acetate
CID 15261201
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
2-(4-nitrophenyl)ethylazanium nitrate
CID 140513510
1-(hydroxysulfanylmethyl)-4-nitrobenzene
CID 163691163
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
dimethyl-[(4-nitrophenyl)methyl]stibane
CID 87343420
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-nitrobenzene;tungsten?
The IUPAC name of 1-ethyl-4-nitrobenzene;tungsten (CID 58858101) is 1-ethyl-4-nitrobenzene;tungsten.
What is the SMILES notation for 1-ethyl-4-nitrobenzene;tungsten?
The canonical SMILES for 1-ethyl-4-nitrobenzene;tungsten is [CH2-]Cc1ccc([N+](=O)[O-])cc1.[W].
What is the InChIKey of 1-ethyl-4-nitrobenzene;tungsten?
The InChIKey is YBAFYHZLAQOUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO2.W/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,1-2H2;/q-1;.
What are the key properties of 1-ethyl-4-nitrobenzene;tungsten?
1-ethyl-4-nitrobenzene;tungsten has a molecular weight of 334.00 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-nitrobenzene;tungsten is sourced from PubChem (CID 58858101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).