2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol

C16H15N3O4 — CID 177498703

IUPAC2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/CC/N=C/c2ccccc2O)c1
InChIInChI=1S/C16H15N3O4/c20-15-4-2-1-3-12(15)10-17-7-8-18-11-13-9-14(19(22)23)5-6-16(13)21/h1-6,9-11,20-21H,7-8H2/b17-10+,18-11+
InChIKeyKDSXOSKXETXBJJ-ODPUSEOTSA-N
MW313.31 g/mol
LogP2.54
Rot. Bonds6

About 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol (PubChem CID 177498703) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
PubChem CID177498703
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/CC/N=C/c2ccccc2O)c1
InChIInChI=1S/C16H15N3O4/c20-15-4-2-1-3-12(15)10-17-7-8-18-11-13-9-14(19(22)23)5-6-16(13)21/h1-6,9-11,20-21H,7-8H2/b17-10+,18-11+
InChIKeyKDSXOSKXETXBJJ-ODPUSEOTSA-N
XLogP2.54
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol 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

2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate
CID 139264621
iron(3+);bis(2-[2-(methylamino)ethyliminomethyl]-4-nitrophenol)
CID 135459871
2-(heptyliminomethyl)-4-nitrophenol
CID 4512182
4-nitro-2-(octadecyliminomethyl)phenol
CID 4097275
2-[2-(furan-2-yl)ethyliminomethyl]-4-nitrophenol
CID 135757905
4-(dimethylamino)-2-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]propyliminomethyl]phenol
CID 139138755
4-nitro-2-[[(2S)-2-phenylpropyl]iminomethyl]phenol
CID 135596350
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6712093
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol?
The IUPAC name of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol (CID 177498703) is 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/CC/N=C/c2ccccc2O)c1.
What is the InChIKey of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol?
The InChIKey is KDSXOSKXETXBJJ-ODPUSEOTSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15-4-2-1-3-12(15)10-17-7-8-18-11-13-9-14(19(22)23)5-6-16(13)21/h1-6,9-11,20-21H,7-8H2/b17-10+,18-11+.
What are the key properties of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol?
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol has a molecular weight of 313.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol is sourced from PubChem (CID 177498703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).