2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol

C17H18N2O3 — CID 155262263

IUPAC2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol
SMILESCC(C)(C)c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C17H18N2O3/c1-17(2,3)14-6-4-5-7-15(14)18-11-12-10-13(19(21)22)8-9-16(12)20/h4-11,20H,1-3H3/b18-11+
InChIKeyKBZJAXAOIAQGCM-WOJGMQOQSA-N
MW298.34 g/mol
LogP4.35
Rot. Bonds3

About 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol

2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol (PubChem CID 155262263) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol
PubChem CID155262263
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol
SMILESCC(C)(C)c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C17H18N2O3/c1-17(2,3)14-6-4-5-7-15(14)18-11-12-10-13(19(21)22)8-9-16(12)20/h4-11,20H,1-3H3/b18-11+
InChIKeyKBZJAXAOIAQGCM-WOJGMQOQSA-N
XLogP4.35
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(Naphthalen-1-yliminomethyl)-4-nitro-phenol
CID 690984
2-(((3-Nitrophenyl)methylene)amino)phenol
CID 94755
Mls002920165
CID 280649
2-Hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone
CID 135498016
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinecarboximidamide
CID 135454394
Benzaldehyde, 2-hydroxy-5-nitro-, oxime
CID 86261909
Phenol, p-((m-nitrobenzylidene)amino)-
CID 94756
Alpha-(3-nitrophenylimino)-ortho-cresol
CID 292413
Phenol, 2-[[(2-methylphenyl)imino]methyl]-4-nitro-
CID 765699
Bis(4-nitro-2-((phenylimino)methyl)phenolate)-oxovanadium(IV) (5)
CID 136351661
4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol
CID 232780

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol (CID 155262263) is 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol is CC(C)(C)c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is KBZJAXAOIAQGCM-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(2,3)14-6-4-5-7-15(14)18-11-12-10-13(19(21)22)8-9-16(12)20/h4-11,20H,1-3H3/b18-11+.
What are the key properties of 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol?
2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol has a molecular weight of 298.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 155262263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).