[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine

C14H15N3O3 — CID 80911989

IUPAC[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine
SMILESCCc1cccc(Oc2cccc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-2-10-5-3-6-11(9-10)20-13-8-4-7-12(16-15)14(13)17(18)19/h3-9,16H,2,15H2,1H3
InChIKeyNVTUDFZIYMFNST-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.24
Rot. Bonds5

About [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine

[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine (PubChem CID 80911989) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine
PubChem CID80911989
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine
SMILESCCc1cccc(Oc2cccc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-2-10-5-3-6-11(9-10)20-13-8-4-7-12(16-15)14(13)17(18)19/h3-9,16H,2,15H2,1H3
InChIKeyNVTUDFZIYMFNST-UHFFFAOYSA-N
XLogP3.24
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine 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

3-(3-ethylphenoxy)-2-nitrobenzoic acid
CID 115540994
[3-(3,4-dichlorophenoxy)-2-nitrophenyl]hydrazine
CID 80920158
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine
CID 80909958
[3-(2-chloro-5-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916452
[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80911199
3-[3-(dimethylamino)phenoxy]-N-methyl-2-nitroaniline
CID 80879549
[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916758
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
CID 80918331
3-(3,5-difluorophenoxy)-N-ethyl-2-nitroaniline
CID 80880492
3-(4-bromo-3-methylphenoxy)-N-ethyl-2-nitroaniline
CID 83135658

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine (CID 80911989) is [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine is CCc1cccc(Oc2cccc(NN)c2[N+](=O)[O-])c1.
What is the InChIKey of [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine?
The InChIKey is NVTUDFZIYMFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-10-5-3-6-11(9-10)20-13-8-4-7-12(16-15)14(13)17(18)19/h3-9,16H,2,15H2,1H3.
What are the key properties of [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine?
[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine has a molecular weight of 273.29 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80911989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).