2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol

C19H16N2O5 — CID 50884274

IUPAC2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol
SMILESCOc1ccc(-c2ccc(/C=N/c3cc(C)ccc3O)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O5/c1-12-3-7-18(22)16(9-12)20-11-14-5-8-19(26-14)15-6-4-13(25-2)10-17(15)21(23)24/h3-11,22H,1-2H3/b20-11+
InChIKeyFOTFPSZOFLZAFA-RGVLZGJSSA-N
MW352.35 g/mol
LogP4.63
Rot. Bonds5

About 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol

2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol (PubChem CID 50884274) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol.

Molecular Properties

Compound Name2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol
PubChem CID50884274
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol
SMILESCOc1ccc(-c2ccc(/C=N/c3cc(C)ccc3O)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O5/c1-12-3-7-18(22)16(9-12)20-11-14-5-8-19(26-14)15-6-4-13(25-2)10-17(15)21(23)24/h3-11,22H,1-2H3/b20-11+
InChIKeyFOTFPSZOFLZAFA-RGVLZGJSSA-N
XLogP4.63
TPSA98.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol?
The IUPAC name of 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol (CID 50884274) is 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol.
What is the SMILES notation for 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol?
The canonical SMILES for 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol is COc1ccc(-c2ccc(/C=N/c3cc(C)ccc3O)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol?
The InChIKey is FOTFPSZOFLZAFA-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12-3-7-18(22)16(9-12)20-11-14-5-8-19(26-14)15-6-4-13(25-2)10-17(15)21(23)24/h3-11,22H,1-2H3/b20-11+.
What are the key properties of 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol?
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol has a molecular weight of 352.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol is sourced from PubChem (CID 50884274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).