potassium 2-propoxyphenolate

C9H11KO2 — CID 23686802

IUPACpotassium 2-propoxyphenolate
SMILESCCCOc1ccccc1[O-].[K+]
InChIInChI=1S/C9H12O2.K/c1-2-7-11-9-6-4-3-5-8(9)10;/h3-6,10H,2,7H2,1H3;/q;+1/p-1
InChIKeyASPXHNUXXGHCGZ-UHFFFAOYSA-M
MW190.28 g/mol
LogP-1.45
Rot. Bonds3

About potassium 2-propoxyphenolate

potassium 2-propoxyphenolate (PubChem CID 23686802) has the molecular formula C9H11KO2 and a molecular weight of 190.28 g/mol. Its IUPAC name is potassium 2-propoxyphenolate.

Molecular Properties

Compound Namepotassium 2-propoxyphenolate
PubChem CID23686802
Molecular FormulaC9H11KO2
Molecular Weight190.28 g/mol
Exact Mass190.04
IUPAC Namepotassium 2-propoxyphenolate
SMILESCCCOc1ccccc1[O-].[K+]
InChIInChI=1S/C9H12O2.K/c1-2-7-11-9-6-4-3-5-8(9)10;/h3-6,10H,2,7H2,1H3;/q;+1/p-1
InChIKeyASPXHNUXXGHCGZ-UHFFFAOYSA-M
XLogP-1.45
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-ethoxyphenolate
CID 23671657
(2-propoxyphenyl)boronic acid
CID 4219796
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
2-(12-bromododecoxy)phenolate
CID 100985247
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
1-(2-propoxyphenyl)pyrazole
CID 91373275
bis(2,6-dipropoxyphenyl)-phenylphosphane
CID 13087616
1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
2-cyano-3-(2-propoxyphenyl)prop-2-enoate
CID 3287238
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443

Frequently Asked Questions

What is the IUPAC name of potassium 2-propoxyphenolate?
The IUPAC name of potassium 2-propoxyphenolate (CID 23686802) is potassium 2-propoxyphenolate.
What is the SMILES notation for potassium 2-propoxyphenolate?
The canonical SMILES for potassium 2-propoxyphenolate is CCCOc1ccccc1[O-].[K+].
What is the InChIKey of potassium 2-propoxyphenolate?
The InChIKey is ASPXHNUXXGHCGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12O2.K/c1-2-7-11-9-6-4-3-5-8(9)10;/h3-6,10H,2,7H2,1H3;/q;+1/p-1.
What are the key properties of potassium 2-propoxyphenolate?
potassium 2-propoxyphenolate has a molecular weight of 190.28 g/mol, XLogP of -1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-propoxyphenolate is sourced from PubChem (CID 23686802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).