potassium 4-propoxycarbonylphenolate

C10H11KO3 — CID 23662516

IUPACpotassium 4-propoxycarbonylphenolate
SMILESCCCOC(=O)c1ccc([O-])cc1.[K+]
InChIInChI=1S/C10H12O3.K/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+1/p-1
InChIKeyTUMYXYVXTFDMTJ-UHFFFAOYSA-M
MW218.29 g/mol
LogP-1.67
Rot. Bonds3

About potassium 4-propoxycarbonylphenolate

potassium 4-propoxycarbonylphenolate (PubChem CID 23662516) has the molecular formula C10H11KO3 and a molecular weight of 218.29 g/mol. Its IUPAC name is potassium 4-propoxycarbonylphenolate.

Molecular Properties

Compound Namepotassium 4-propoxycarbonylphenolate
PubChem CID23662516
Molecular FormulaC10H11KO3
Molecular Weight218.29 g/mol
Exact Mass218.03
IUPAC Namepotassium 4-propoxycarbonylphenolate
SMILESCCCOC(=O)c1ccc([O-])cc1.[K+]
InChIInChI=1S/C10H12O3.K/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+1/p-1
InChIKeyTUMYXYVXTFDMTJ-UHFFFAOYSA-M
XLogP-1.67
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;propan-1-ol;4-propoxycarbonylphenolate
CID 70628571
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
propyl 4-hydroxybenzoate
CID 66683808
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
propyl 4-ethylsulfonylbenzoate
CID 142374823
propyl 4-butoxybenzoate
CID 43389566
propyl 4-(4-bromophenyl)benzoate
CID 54182451
ethane;propyl 4-propan-2-ylbenzoate
CID 164925093
diphenyl-(4-propoxycarbonylphenyl)sulfanium
CID 164747685
4-O-(2-ethylbutyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730701
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285

Frequently Asked Questions

What is the IUPAC name of potassium 4-propoxycarbonylphenolate?
The IUPAC name of potassium 4-propoxycarbonylphenolate (CID 23662516) is potassium 4-propoxycarbonylphenolate.
What is the SMILES notation for potassium 4-propoxycarbonylphenolate?
The canonical SMILES for potassium 4-propoxycarbonylphenolate is CCCOC(=O)c1ccc([O-])cc1.[K+].
What is the InChIKey of potassium 4-propoxycarbonylphenolate?
The InChIKey is TUMYXYVXTFDMTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O3.K/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+1/p-1.
What are the key properties of potassium 4-propoxycarbonylphenolate?
potassium 4-propoxycarbonylphenolate has a molecular weight of 218.29 g/mol, XLogP of -1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-propoxycarbonylphenolate is sourced from PubChem (CID 23662516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).