2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol

C15H13N3O3 — CID 3815884

IUPAC2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol
SMILESCC(=NN=Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O3/c1-11(12-6-8-14(9-7-12)18(20)21)17-16-10-13-4-2-3-5-15(13)19/h2-10,19H,1H3
InChIKeyBBQNJQAYNQEVQE-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.14
Rot. Bonds4

About 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol

2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol (PubChem CID 3815884) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol
PubChem CID3815884
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol
SMILESCC(=NN=Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O3/c1-11(12-6-8-14(9-7-12)18(20)21)17-16-10-13-4-2-3-5-15(13)19/h2-10,19H,1H3
InChIKeyBBQNJQAYNQEVQE-UHFFFAOYSA-N
XLogP3.14
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine
CID 139599982
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135775343
2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
CID 177416207
2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
CID 141229523
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
2-[[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
CID 135735412

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol (CID 3815884) is 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol is CC(=NN=Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol?
The InChIKey is BBQNJQAYNQEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-11(12-6-8-14(9-7-12)18(20)21)17-16-10-13-4-2-3-5-15(13)19/h2-10,19H,1H3.
What are the key properties of 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol?
2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol has a molecular weight of 283.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 3815884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).