potassium 4-ethoxycarbonylphenolate

C9H9KO3 — CID 23696798

IUPACpotassium 4-ethoxycarbonylphenolate
SMILESCCOC(=O)c1ccc([O-])cc1.[K+]
InChIInChI=1S/C9H10O3.K/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;/q;+1/p-1
InChIKeyHFTYFFXNUVBSII-UHFFFAOYSA-M
MW204.27 g/mol
LogP-2.06
Rot. Bonds2

About potassium 4-ethoxycarbonylphenolate

potassium 4-ethoxycarbonylphenolate (PubChem CID 23696798) has the molecular formula C9H9KO3 and a molecular weight of 204.27 g/mol. Its IUPAC name is potassium 4-ethoxycarbonylphenolate.

Molecular Properties

Compound Namepotassium 4-ethoxycarbonylphenolate
PubChem CID23696798
Molecular FormulaC9H9KO3
Molecular Weight204.27 g/mol
Exact Mass204.02
IUPAC Namepotassium 4-ethoxycarbonylphenolate
SMILESCCOC(=O)c1ccc([O-])cc1.[K+]
InChIInChI=1S/C9H10O3.K/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;/q;+1/p-1
InChIKeyHFTYFFXNUVBSII-UHFFFAOYSA-M
XLogP-2.06
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze potassium 4-ethoxycarbonylphenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 4-ethoxycarbonylphenolate?
The IUPAC name of potassium 4-ethoxycarbonylphenolate (CID 23696798) is potassium 4-ethoxycarbonylphenolate.
What is the SMILES notation for potassium 4-ethoxycarbonylphenolate?
The canonical SMILES for potassium 4-ethoxycarbonylphenolate is CCOC(=O)c1ccc([O-])cc1.[K+].
What is the InChIKey of potassium 4-ethoxycarbonylphenolate?
The InChIKey is HFTYFFXNUVBSII-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3.K/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;/q;+1/p-1.
What are the key properties of potassium 4-ethoxycarbonylphenolate?
potassium 4-ethoxycarbonylphenolate has a molecular weight of 204.27 g/mol, XLogP of -2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-ethoxycarbonylphenolate is sourced from PubChem (CID 23696798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).