4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol

C15H14N2O4 — CID 792025

IUPAC4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCOc1cc(/C=N/c2cccc(C)c2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c1-10-4-3-5-12(6-10)16-9-11-7-13(21-2)8-14(15(11)18)17(19)20/h3-9,18H,1-2H3/b16-9+
InChIKeyGGHCMHWMFCUEDZ-CXUHLZMHSA-N
MW286.29 g/mol
LogP3.37
Rot. Bonds4

About 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol

4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol (PubChem CID 792025) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol
PubChem CID792025
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCOc1cc(/C=N/c2cccc(C)c2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c1-10-4-3-5-12(6-10)16-9-11-7-13(21-2)8-14(15(11)18)17(19)20/h3-9,18H,1-2H3/b16-9+
InChIKeyGGHCMHWMFCUEDZ-CXUHLZMHSA-N
XLogP3.37
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol 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 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol (CID 792025) is 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol is COc1cc(/C=N/c2cccc(C)c2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is GGHCMHWMFCUEDZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-4-3-5-12(6-10)16-9-11-7-13(21-2)8-14(15(11)18)17(19)20/h3-9,18H,1-2H3/b16-9+.
What are the key properties of 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol?
4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol has a molecular weight of 286.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methylphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 792025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).