potassium 2-naphthalen-1-ylacetate

C12H9KO2 — CID 23700091

IUPACpotassium 2-naphthalen-1-ylacetate
SMILESO=C([O-])Cc1cccc2ccccc12.[K+]
InChIInChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKeyHPQBUYIHTJNBOM-UHFFFAOYSA-M
MW224.30 g/mol
LogP-1.86
Rot. Bonds2

About potassium 2-naphthalen-1-ylacetate

potassium 2-naphthalen-1-ylacetate (PubChem CID 23700091) has the molecular formula C12H9KO2 and a molecular weight of 224.30 g/mol. Its IUPAC name is potassium 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Namepotassium 2-naphthalen-1-ylacetate
PubChem CID23700091
Molecular FormulaC12H9KO2
Molecular Weight224.30 g/mol
Exact Mass224.02
IUPAC Namepotassium 2-naphthalen-1-ylacetate
SMILESO=C([O-])Cc1cccc2ccccc12.[K+]
InChIInChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKeyHPQBUYIHTJNBOM-UHFFFAOYSA-M
XLogP-1.86
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium 2-naphthalen-1-ylacetate?
The IUPAC name of potassium 2-naphthalen-1-ylacetate (CID 23700091) is potassium 2-naphthalen-1-ylacetate.
What is the SMILES notation for potassium 2-naphthalen-1-ylacetate?
The canonical SMILES for potassium 2-naphthalen-1-ylacetate is O=C([O-])Cc1cccc2ccccc12.[K+].
What is the InChIKey of potassium 2-naphthalen-1-ylacetate?
The InChIKey is HPQBUYIHTJNBOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1.
What are the key properties of potassium 2-naphthalen-1-ylacetate?
potassium 2-naphthalen-1-ylacetate has a molecular weight of 224.30 g/mol, XLogP of -1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-naphthalen-1-ylacetate is sourced from PubChem (CID 23700091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).