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

C14H12N2O4 — CID 137080897

IUPAC4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
SMILESCOc1cccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H12N2O4/c1-20-12-4-2-3-11(8-12)15-9-10-5-6-14(17)13(7-10)16(18)19/h2-9,17H,1H3/b15-9+
InChIKeyNHXAUGCAZCXRFY-OQLLNIDSSA-N
MW272.26 g/mol
LogP3.06
Rot. Bonds4

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

4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol (PubChem CID 137080897) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
PubChem CID137080897
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
SMILESCOc1cccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H12N2O4/c1-20-12-4-2-3-11(8-12)15-9-10-5-6-14(17)13(7-10)16(18)19/h2-9,17H,1H3/b15-9+
InChIKeyNHXAUGCAZCXRFY-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

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
CID 137171984
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
4-[(4-methyl-3-nitrophenyl)iminomethyl]-2-nitrophenol
CID 137080578
methyl 4-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzoate
CID 137171985
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120
(E)-3-(4-hydroxy-3-nitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 6214615
4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol
CID 137050265
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide
CID 135685452
[4-[(3-methylphenyl)iminomethyl]-2-nitrophenyl] 4-methoxybenzoate
CID 1244221
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
4-[[4-(diethylamino)phenyl]iminomethyl]-2-nitrophenol
CID 135581129

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol?
The IUPAC name of 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol (CID 137080897) is 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol.
What is the SMILES notation for 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol?
The canonical SMILES for 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol is COc1cccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol?
The InChIKey is NHXAUGCAZCXRFY-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-12-4-2-3-11(8-12)15-9-10-5-6-14(17)13(7-10)16(18)19/h2-9,17H,1H3/b15-9+.
What are the key properties of 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol?
4-[(3-methoxyphenyl)iminomethyl]-2-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 4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol is sourced from PubChem (CID 137080897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).