potassium 4-ethylbenzoate

C9H9KO2 — CID 23708087

IUPACpotassium 4-ethylbenzoate
SMILESCCc1ccc(C(=O)[O-])cc1.[K+]
InChIInChI=1S/C9H10O2.K/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyHLZUXWUXJJGRBV-UHFFFAOYSA-M
MW188.27 g/mol
LogP-2.38
Rot. Bonds2

About potassium 4-ethylbenzoate

potassium 4-ethylbenzoate (PubChem CID 23708087) has the molecular formula C9H9KO2 and a molecular weight of 188.27 g/mol. Its IUPAC name is potassium 4-ethylbenzoate.

Molecular Properties

Compound Namepotassium 4-ethylbenzoate
PubChem CID23708087
Molecular FormulaC9H9KO2
Molecular Weight188.27 g/mol
Exact Mass188.02
IUPAC Namepotassium 4-ethylbenzoate
SMILESCCc1ccc(C(=O)[O-])cc1.[K+]
InChIInChI=1S/C9H10O2.K/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyHLZUXWUXJJGRBV-UHFFFAOYSA-M
XLogP-2.38
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-2.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

barium(2+);bis(4-ethylbenzoate)
CID 101299929
dicopper;tetrakis(4-ethylbenzoate);methylsulfinylmethane
CID 139052599
dipotassium;terephthalate
CID 25981
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
potassium 4-(bromomethyl)benzoate
CID 102001978
4-ethylbenzoyl iodide
CID 89147367
CID 101297352
CID 101297352
CID 101318068
CID 101318068
CID 101318044
CID 101318044
CID 101318020
CID 101318020
dilithium;terephthalate
CID 14361651
terephthalate;vanadium(4+)
CID 157213578

Frequently Asked Questions

What is the IUPAC name of potassium 4-ethylbenzoate?
The IUPAC name of potassium 4-ethylbenzoate (CID 23708087) is potassium 4-ethylbenzoate.
What is the SMILES notation for potassium 4-ethylbenzoate?
The canonical SMILES for potassium 4-ethylbenzoate is CCc1ccc(C(=O)[O-])cc1.[K+].
What is the InChIKey of potassium 4-ethylbenzoate?
The InChIKey is HLZUXWUXJJGRBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O2.K/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 4-ethylbenzoate?
potassium 4-ethylbenzoate has a molecular weight of 188.27 g/mol, XLogP of -2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-ethylbenzoate is sourced from PubChem (CID 23708087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).