2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol

C15H14N2O5 — CID 135595595

IUPAC2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(OC)c1
InChIInChI=1S/C15H14N2O5/c1-21-12-4-5-13(15(8-12)22-2)16-9-10-7-11(17(19)20)3-6-14(10)18/h3-9,18H,1-2H3/b16-9+
InChIKeyILAYSWWZZKKVBV-CXUHLZMHSA-N
MW302.29 g/mol
LogP3.07
Rot. Bonds5

About 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol

2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol (PubChem CID 135595595) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
PubChem CID135595595
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(OC)c1
InChIInChI=1S/C15H14N2O5/c1-21-12-4-5-13(15(8-12)22-2)16-9-10-7-11(17(19)20)3-6-14(10)18/h3-9,18H,1-2H3/b16-9+
InChIKeyILAYSWWZZKKVBV-CXUHLZMHSA-N
XLogP3.07
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
CID 4305611
2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
CID 135963051
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol
CID 3429758
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 135618942
4-methoxy-2-[(E)-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 135578609

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol (CID 135595595) is 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol is COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is ILAYSWWZZKKVBV-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-12-4-5-13(15(8-12)22-2)16-9-10-7-11(17(19)20)3-6-14(10)18/h3-9,18H,1-2H3/b16-9+.
What are the key properties of 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol?
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol has a molecular weight of 302.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 135595595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).