3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol

C18H20N4O5 — CID 4114788

IUPAC3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol
SMILESCC(C)(O)C(CCc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N4O5/c1-18(2,23)17(11-8-13-6-4-3-5-7-13)20-19-15-10-9-14(21(24)25)12-16(15)22(26)27/h3-7,9-10,12,19,23H,8,11H2,1-2H3
InChIKeyXZBFXVXZCHTGIY-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.67
Rot. Bonds8

About 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol

3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol (PubChem CID 4114788) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol.

Molecular Properties

Compound Name3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol
PubChem CID4114788
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol
SMILESCC(C)(O)C(CCc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N4O5/c1-18(2,23)17(11-8-13-6-4-3-5-7-13)20-19-15-10-9-14(21(24)25)12-16(15)22(26)27/h3-7,9-10,12,19,23H,8,11H2,1-2H3
InChIKeyXZBFXVXZCHTGIY-UHFFFAOYSA-N
XLogP3.67
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol 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

(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol
CID 6013423
(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutan-2-ol
CID 13440229
(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol
CID 5369580
2,4-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]aniline
CID 5385748
2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
N-[(E)-[(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3,3-dimethyl-4-phenylbutylidene]amino]-2,4-dinitroaniline
CID 138977336
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6306782
N-[(E)-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]amino]-2,4-dinitroaniline
CID 21176257

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol?
The IUPAC name of 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol (CID 4114788) is 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol.
What is the SMILES notation for 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol?
The canonical SMILES for 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol is CC(C)(O)C(CCc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol?
The InChIKey is XZBFXVXZCHTGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-18(2,23)17(11-8-13-6-4-3-5-7-13)20-19-15-10-9-14(21(24)25)12-16(15)22(26)27/h3-7,9-10,12,19,23H,8,11H2,1-2H3.
What are the key properties of 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol?
3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol has a molecular weight of 372.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol is sourced from PubChem (CID 4114788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).