potassium 3,4-dimethoxyphenolate

C8H9KO3 — CID 23662144

IUPACpotassium 3,4-dimethoxyphenolate
SMILESCOc1ccc([O-])cc1OC.[K+]
InChIInChI=1S/C8H10O3.K/c1-10-7-4-3-6(9)5-8(7)11-2;/h3-5,9H,1-2H3;/q;+1/p-1
InChIKeyCWSQFZPAYMAORQ-UHFFFAOYSA-M
MW192.25 g/mol
LogP-2.22
Rot. Bonds2

About potassium 3,4-dimethoxyphenolate

potassium 3,4-dimethoxyphenolate (PubChem CID 23662144) has the molecular formula C8H9KO3 and a molecular weight of 192.25 g/mol. Its IUPAC name is potassium 3,4-dimethoxyphenolate.

Molecular Properties

Compound Namepotassium 3,4-dimethoxyphenolate
PubChem CID23662144
Molecular FormulaC8H9KO3
Molecular Weight192.25 g/mol
Exact Mass192.02
IUPAC Namepotassium 3,4-dimethoxyphenolate
SMILESCOc1ccc([O-])cc1OC.[K+]
InChIInChI=1S/C8H10O3.K/c1-10-7-4-3-6(9)5-8(7)11-2;/h3-5,9H,1-2H3;/q;+1/p-1
InChIKeyCWSQFZPAYMAORQ-UHFFFAOYSA-M
XLogP-2.22
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-2.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tris(3,4-dimethoxyphenyl) borate
CID 67306182
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
4-ethynylsulfonyl-1,2-dimethoxybenzene
CID 10176908
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide
CID 153323745
sodium;3,4-dimethoxybenzenethiol;hydride
CID 175319936
CID 118692692
CID 118692692
1,4,5,8-tetramethoxynaphthalene
CID 10220551
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
N-fluoro-3,4-dimethoxyaniline
CID 91259644

Frequently Asked Questions

What is the IUPAC name of potassium 3,4-dimethoxyphenolate?
The IUPAC name of potassium 3,4-dimethoxyphenolate (CID 23662144) is potassium 3,4-dimethoxyphenolate.
What is the SMILES notation for potassium 3,4-dimethoxyphenolate?
The canonical SMILES for potassium 3,4-dimethoxyphenolate is COc1ccc([O-])cc1OC.[K+].
What is the InChIKey of potassium 3,4-dimethoxyphenolate?
The InChIKey is CWSQFZPAYMAORQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O3.K/c1-10-7-4-3-6(9)5-8(7)11-2;/h3-5,9H,1-2H3;/q;+1/p-1.
What are the key properties of potassium 3,4-dimethoxyphenolate?
potassium 3,4-dimethoxyphenolate has a molecular weight of 192.25 g/mol, XLogP of -2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,4-dimethoxyphenolate is sourced from PubChem (CID 23662144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).