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

C15H14N2O4 — CID 135851114

IUPAC2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCOc1cc(/C=N/c2ccc(C)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H14N2O4/c1-10-3-5-12(6-4-10)16-9-11-7-13(17(19)20)15(18)14(8-11)21-2/h3-9,18H,1-2H3/b16-9+
InChIKeyFFRJBXFHUPAYIU-CXUHLZMHSA-N
MW286.29 g/mol
LogP3.37
Rot. Bonds4

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

2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol (PubChem CID 135851114) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
PubChem CID135851114
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
SMILESCOc1cc(/C=N/c2ccc(C)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H14N2O4/c1-10-3-5-12(6-4-10)16-9-11-7-13(17(19)20)15(18)14(8-11)21-2/h3-9,18H,1-2H3/b16-9+
InChIKeyFFRJBXFHUPAYIU-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'}

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Related Compounds

4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 135573756
4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
CID 137117281
4-[(E)-[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135608137
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
CID 137059464
N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 135813872
1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3951900
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135622238
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 136873511
1-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 135552116
N-(3,4-dimethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide
CID 135813828
[4-[(4-methylphenyl)iminomethyl]-2-nitrophenyl] benzoate
CID 1244187

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol (CID 135851114) is 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol is COc1cc(/C=N/c2ccc(C)cc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is FFRJBXFHUPAYIU-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-3-5-12(6-4-10)16-9-11-7-13(17(19)20)15(18)14(8-11)21-2/h3-9,18H,1-2H3/b16-9+.
What are the key properties of 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol?
2-methoxy-4-[(4-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 2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 135851114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).