4-methoxy-3-nitrophenol

C7H7NO4 — CID 14958907

IUPAC4-methoxy-3-nitrophenol
SMILESCOc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7NO4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9H,1H3
InChIKeyAADXAMFLYDYIFS-UHFFFAOYSA-N
MW169.14 g/mol
LogP1.31
Rot. Bonds2

About 4-methoxy-3-nitrophenol

4-methoxy-3-nitrophenol (PubChem CID 14958907) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 4-methoxy-3-nitrophenol.

Molecular Properties

Compound Name4-methoxy-3-nitrophenol
PubChem CID14958907
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name4-methoxy-3-nitrophenol
SMILESCOc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7NO4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9H,1H3
InChIKeyAADXAMFLYDYIFS-UHFFFAOYSA-N
XLogP1.31
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-3-nitrophenol?
The IUPAC name of 4-methoxy-3-nitrophenol (CID 14958907) is 4-methoxy-3-nitrophenol.
What is the SMILES notation for 4-methoxy-3-nitrophenol?
The canonical SMILES for 4-methoxy-3-nitrophenol is COc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitrophenol?
The InChIKey is AADXAMFLYDYIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9H,1H3.
What are the key properties of 4-methoxy-3-nitrophenol?
4-methoxy-3-nitrophenol has a molecular weight of 169.14 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitrophenol is sourced from PubChem (CID 14958907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).