2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol

C15H14N2O6 — CID 135963051

IUPAC2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(/C=N/c2cc([N+](=O)[O-])ccc2O)c(OC)c1
InChIInChI=1S/C15H14N2O6/c1-22-10-6-14(19)11(15(7-10)23-2)8-16-12-5-9(17(20)21)3-4-13(12)18/h3-8,18-19H,1-2H3/b16-8+
InChIKeyZREBSNWEPSGOPS-LZYBPNLTSA-N
MW318.29 g/mol
LogP2.77
Rot. Bonds5

About 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol

2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol (PubChem CID 135963051) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
PubChem CID135963051
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(/C=N/c2cc([N+](=O)[O-])ccc2O)c(OC)c1
InChIInChI=1S/C15H14N2O6/c1-22-10-6-14(19)11(15(7-10)23-2)8-16-12-5-9(17(20)21)3-4-13(12)18/h3-8,18-19H,1-2H3/b16-8+
InChIKeyZREBSNWEPSGOPS-LZYBPNLTSA-N
XLogP2.77
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', '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-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol 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-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
2-(anthracen-9-ylmethylideneamino)-4-nitrophenol
CID 932237
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
ethane;2-methoxy-4-nitrophenol
CID 91188946
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
2-(ethyliminomethyl)-3-methoxy-5-nitrophenol
CID 136832689
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
CID 4305611

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol?
The IUPAC name of 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol (CID 135963051) is 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol is COc1cc(O)c(/C=N/c2cc([N+](=O)[O-])ccc2O)c(OC)c1.
What is the InChIKey of 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol?
The InChIKey is ZREBSNWEPSGOPS-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-22-10-6-14(19)11(15(7-10)23-2)8-16-12-5-9(17(20)21)3-4-13(12)18/h3-8,18-19H,1-2H3/b16-8+.
What are the key properties of 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol?
2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol has a molecular weight of 318.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 135963051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).