4-[(E)-methoxyiminomethyl]-2-nitrophenol

C8H8N2O4 — CID 136661643

IUPAC4-[(E)-methoxyiminomethyl]-2-nitrophenol
SMILESCO/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O4/c1-14-9-5-6-2-3-8(11)7(4-6)10(12)13/h2-5,11H,1H3/b9-5+
InChIKeyDMRDHJGBGCSAIR-WEVVVXLNSA-N
MW196.16 g/mol
LogP1.28
Rot. Bonds3

About 4-[(E)-methoxyiminomethyl]-2-nitrophenol

4-[(E)-methoxyiminomethyl]-2-nitrophenol (PubChem CID 136661643) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-[(E)-methoxyiminomethyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(E)-methoxyiminomethyl]-2-nitrophenol
PubChem CID136661643
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name4-[(E)-methoxyiminomethyl]-2-nitrophenol
SMILESCO/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O4/c1-14-9-5-6-2-3-8(11)7(4-6)10(12)13/h2-5,11H,1H3/b9-5+
InChIKeyDMRDHJGBGCSAIR-WEVVVXLNSA-N
XLogP1.28
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.28
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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-methoxyiminomethyl]-2-nitrophenol?
The IUPAC name of 4-[(E)-methoxyiminomethyl]-2-nitrophenol (CID 136661643) is 4-[(E)-methoxyiminomethyl]-2-nitrophenol.
What is the SMILES notation for 4-[(E)-methoxyiminomethyl]-2-nitrophenol?
The canonical SMILES for 4-[(E)-methoxyiminomethyl]-2-nitrophenol is CO/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(E)-methoxyiminomethyl]-2-nitrophenol?
The InChIKey is DMRDHJGBGCSAIR-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-14-9-5-6-2-3-8(11)7(4-6)10(12)13/h2-5,11H,1H3/b9-5+.
What are the key properties of 4-[(E)-methoxyiminomethyl]-2-nitrophenol?
4-[(E)-methoxyiminomethyl]-2-nitrophenol has a molecular weight of 196.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-methoxyiminomethyl]-2-nitrophenol is sourced from PubChem (CID 136661643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).