potassium 4-methoxycarbonylphenolate

C8H7KO3 — CID 23663677

IUPACpotassium 4-methoxycarbonylphenolate
SMILESCOC(=O)c1ccc([O-])cc1.[K+]
InChIInChI=1S/C8H8O3.K/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1
InChIKeyMOCBTMXJPWSHOD-UHFFFAOYSA-M
MW190.24 g/mol
LogP-2.45
Rot. Bonds1

About potassium 4-methoxycarbonylphenolate

potassium 4-methoxycarbonylphenolate (PubChem CID 23663677) has the molecular formula C8H7KO3 and a molecular weight of 190.24 g/mol. Its IUPAC name is potassium 4-methoxycarbonylphenolate.

Molecular Properties

Compound Namepotassium 4-methoxycarbonylphenolate
PubChem CID23663677
Molecular FormulaC8H7KO3
Molecular Weight190.24 g/mol
Exact Mass190.00
IUPAC Namepotassium 4-methoxycarbonylphenolate
SMILESCOC(=O)c1ccc([O-])cc1.[K+]
InChIInChI=1S/C8H8O3.K/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1
InChIKeyMOCBTMXJPWSHOD-UHFFFAOYSA-M
XLogP-2.45
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-2.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 4-methoxycarbonylphenolate?
The IUPAC name of potassium 4-methoxycarbonylphenolate (CID 23663677) is potassium 4-methoxycarbonylphenolate.
What is the SMILES notation for potassium 4-methoxycarbonylphenolate?
The canonical SMILES for potassium 4-methoxycarbonylphenolate is COC(=O)c1ccc([O-])cc1.[K+].
What is the InChIKey of potassium 4-methoxycarbonylphenolate?
The InChIKey is MOCBTMXJPWSHOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O3.K/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1.
What are the key properties of potassium 4-methoxycarbonylphenolate?
potassium 4-methoxycarbonylphenolate has a molecular weight of 190.24 g/mol, XLogP of -2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-methoxycarbonylphenolate is sourced from PubChem (CID 23663677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).