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

C15H14N2O5 — CID 3972787

IUPAC2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol
SMILESCOc1cccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)c1
InChIInChI=1S/C15H14N2O5/c1-21-13-5-3-4-11(7-13)16-9-10-6-12(17(19)20)8-14(22-2)15(10)18/h3-9,18H,1-2H3/b16-9+
InChIKeyZBRBATAXSSLFPD-CXUHLZMHSA-N
MW302.29 g/mol
LogP3.07
Rot. Bonds5

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

2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol (PubChem CID 3972787) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol
PubChem CID3972787
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol
SMILESCOc1cccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)c1
InChIInChI=1S/C15H14N2O5/c1-21-13-5-3-4-11(7-13)16-9-10-6-12(17(19)20)8-14(22-2)15(10)18/h3-9,18H,1-2H3/b16-9+
InChIKeyZBRBATAXSSLFPD-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

BN-82002
CID 9798923
2-Methoxy-6-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 135623990
6-Methoxy-alpha-(4-methylphenylimino)-O-cresol
CID 428968
2-Methoxy-alpha-(4-methoxyphenylimino)-para-cresol
CID 681370
2-cyano-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide
CID 135439717
2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]-4-nitrophenol
CID 916037
2-{[(3,5-Dimethylphenyl)imino]methyl}-6-methoxyphenol
CID 693687
2-[(E)-(2,3-dihydro-1,4-benzodioxin-6-ylimino)methyl]-6-methoxyphenol
CID 3239596
(1S,2S)-2-((E)-(2-hydroxy-3-methoxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol
CID 917243
2-Methoxy-4-nitro-6-(1-piperidinylmethyl)phenol
CID 782309
N-(2-cyanoethyl)-N'-{2-hydroxy-5-nitro-3-methoxybenzylidene}acetohydrazide
CID 135433329
(3-Methylphenyl)[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine
CID 700609

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol (CID 3972787) is 2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol is COc1cccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)c1.
What is the InChIKey of 2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is ZBRBATAXSSLFPD-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-13-5-3-4-11(7-13)16-9-10-6-12(17(19)20)8-14(22-2)15(10)18/h3-9,18H,1-2H3/b16-9+.
What are the key properties of 2-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol?
2-methoxy-6-[(3-methoxyphenyl)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-methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 3972787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).