4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol

C13H10N4O5 — CID 135442992

IUPAC4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccc(O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-11-4-1-9(2-5-11)8-14-15-12-6-3-10(16(19)20)7-13(12)17(21)22/h1-8,15,18H/b14-8+
InChIKeyGQIVASLYJABIKA-RIYZIHGNSA-N
MW302.25 g/mol
LogP2.65
Rot. Bonds5

About 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol

4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135442992) has the molecular formula C13H10N4O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135442992
Molecular FormulaC13H10N4O5
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC Name4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccc(O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-11-4-1-9(2-5-11)8-14-15-12-6-3-10(16(19)20)7-13(12)17(21)22/h1-8,15,18H/b14-8+
InChIKeyGQIVASLYJABIKA-RIYZIHGNSA-N
XLogP2.65
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methylideneamino]-2,4-dinitroaniline
CID 632518
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
4-[(E,3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylprop-1-enyl]phenol
CID 135590960
4-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135799228
methyl N-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl]carbamate
CID 18531970
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2,4-dinitroaniline
CID 9016180
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126209455
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
N-[[4-(diethylamino)phenyl]methylideneamino]-2,4-dinitroaniline
CID 3089334
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 3525992
2-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 21370898
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3280736

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol (CID 135442992) is 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(N/N=C/c2ccc(O)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is GQIVASLYJABIKA-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N4O5/c18-11-4-1-9(2-5-11)8-14-15-12-6-3-10(16(19)20)7-13(12)17(21)22/h1-8,15,18H/b14-8+.
What are the key properties of 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 302.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135442992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).