2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol

C14H12N2O4 — CID 690783

IUPAC2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C14H12N2O4/c1-20-13-5-2-11(3-6-13)15-9-10-8-12(16(18)19)4-7-14(10)17/h2-9,17H,1H3/b15-9+
InChIKeyFFIJBDXQAMJUKD-OQLLNIDSSA-N
MW272.26 g/mol
LogP3.06
Rot. Bonds4

About 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol

2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol (PubChem CID 690783) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol
PubChem CID690783
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C14H12N2O4/c1-20-13-5-2-11(3-6-13)15-9-10-8-12(16(18)19)4-7-14(10)17/h2-9,17H,1H3/b15-9+
InChIKeyFFIJBDXQAMJUKD-OQLLNIDSSA-N
XLogP3.06
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.06
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

Alpha-(4-methoxyphenylimino)-O-cresol
CID 221219
Phenol, 4-(((4-methoxyphenyl)methylene)amino)-
CID 97286
Alpha-(4-ethoxyphenylimino)-O-cresol
CID 254418
Alpha-(3-methoxyphenylimino)-O-cresol
CID 689853
Alpha-(4-methoxyphenylimino)-P-cresol
CID 785111
2-[(E)-(1,3-benzodioxol-5-ylimino)methyl]-4-nitrophenol
CID 916037
2-Hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone
CID 135498016
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
8-Nitrobenzo[b][1,4]benzoxazepine
CID 5159242
Benzaldehyde, 2-hydroxy-5-nitro-, oxime
CID 86261909
Phenol, p-((m-nitrobenzylidene)amino)-
CID 94756
Alpha-(3-nitrophenylimino)-ortho-cresol
CID 292413

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol (CID 690783) is 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol is COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is FFIJBDXQAMJUKD-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-13-5-2-11(3-6-13)15-9-10-8-12(16(18)19)4-7-14(10)17/h2-9,17H,1H3/b15-9+.
What are the key properties of 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol?
2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol has a molecular weight of 272.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 690783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).