potassium 2-methoxy-3-nitrophenol

C7H7KNO4+ — CID 67083613

IUPACpotassium 2-methoxy-3-nitrophenol
SMILESCOc1c(O)cccc1[N+](=O)[O-].[K+]
InChIInChI=1S/C7H7NO4.K/c1-12-7-5(8(10)11)3-2-4-6(7)9;/h2-4,9H,1H3;/q;+1
InChIKeyAOQQWRZMTIXASS-UHFFFAOYSA-N
MW208.23 g/mol
LogP-1.69
Rot. Bonds2

About potassium 2-methoxy-3-nitrophenol

potassium 2-methoxy-3-nitrophenol (PubChem CID 67083613) has the molecular formula C7H7KNO4+ and a molecular weight of 208.23 g/mol. Its IUPAC name is potassium 2-methoxy-3-nitrophenol.

Molecular Properties

Compound Namepotassium 2-methoxy-3-nitrophenol
PubChem CID67083613
Molecular FormulaC7H7KNO4+
Molecular Weight208.23 g/mol
Exact Mass208.00
IUPAC Namepotassium 2-methoxy-3-nitrophenol
SMILESCOc1c(O)cccc1[N+](=O)[O-].[K+]
InChIInChI=1S/C7H7NO4.K/c1-12-7-5(8(10)11)3-2-4-6(7)9;/h2-4,9H,1H3;/q;+1
InChIKeyAOQQWRZMTIXASS-UHFFFAOYSA-N
XLogP-1.69
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-1.69
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 potassium 2-methoxy-3-nitrophenol?
The IUPAC name of potassium 2-methoxy-3-nitrophenol (CID 67083613) is potassium 2-methoxy-3-nitrophenol.
What is the SMILES notation for potassium 2-methoxy-3-nitrophenol?
The canonical SMILES for potassium 2-methoxy-3-nitrophenol is COc1c(O)cccc1[N+](=O)[O-].[K+].
What is the InChIKey of potassium 2-methoxy-3-nitrophenol?
The InChIKey is AOQQWRZMTIXASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.K/c1-12-7-5(8(10)11)3-2-4-6(7)9;/h2-4,9H,1H3;/q;+1.
What are the key properties of potassium 2-methoxy-3-nitrophenol?
potassium 2-methoxy-3-nitrophenol has a molecular weight of 208.23 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methoxy-3-nitrophenol is sourced from PubChem (CID 67083613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).