potassium 2,4-dimethylphenolate

C8H9KO — CID 23677781

IUPACpotassium 2,4-dimethylphenolate
SMILESCc1ccc([O-])c(C)c1.[K+]
InChIInChI=1S/C8H10O.K/c1-6-3-4-8(9)7(2)5-6;/h3-5,9H,1-2H3;/q;+1/p-1
InChIKeyFSQXNZZDWLFDTA-UHFFFAOYSA-M
MW160.26 g/mol
LogP-1.62
Rot. Bonds

About potassium 2,4-dimethylphenolate

potassium 2,4-dimethylphenolate (PubChem CID 23677781) has the molecular formula C8H9KO and a molecular weight of 160.26 g/mol. Its IUPAC name is potassium 2,4-dimethylphenolate.

Molecular Properties

Compound Namepotassium 2,4-dimethylphenolate
PubChem CID23677781
Molecular FormulaC8H9KO
Molecular Weight160.26 g/mol
Exact Mass160.03
IUPAC Namepotassium 2,4-dimethylphenolate
SMILESCc1ccc([O-])c(C)c1.[K+]
InChIInChI=1S/C8H10O.K/c1-6-3-4-8(9)7(2)5-6;/h3-5,9H,1-2H3;/q;+1/p-1
InChIKeyFSQXNZZDWLFDTA-UHFFFAOYSA-M
XLogP-1.62
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4-trimethylbenzene
CID 7247
magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate
CID 147715215
CID 175892141
CID 175892141
potassium 5-methyl-2-propan-2-ylphenolate
CID 23693969
tris(tetrakis(2,4-dimethylphenyl)azanium);borate
CID 175371398
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
4-methyl-2-nitrophenolate
CID 6989903
potassium 4-methylphenolate
CID 23676568
formonitrile;1,2,4-trimethylbenzene
CID 90728107
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
2,4-dimethylphenol
CID 67713801
sodium 4-methyl-2-nitrophenolate
CID 12989561

Frequently Asked Questions

What is the IUPAC name of potassium 2,4-dimethylphenolate?
The IUPAC name of potassium 2,4-dimethylphenolate (CID 23677781) is potassium 2,4-dimethylphenolate.
What is the SMILES notation for potassium 2,4-dimethylphenolate?
The canonical SMILES for potassium 2,4-dimethylphenolate is Cc1ccc([O-])c(C)c1.[K+].
What is the InChIKey of potassium 2,4-dimethylphenolate?
The InChIKey is FSQXNZZDWLFDTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O.K/c1-6-3-4-8(9)7(2)5-6;/h3-5,9H,1-2H3;/q;+1/p-1.
What are the key properties of potassium 2,4-dimethylphenolate?
potassium 2,4-dimethylphenolate has a molecular weight of 160.26 g/mol, XLogP of -1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,4-dimethylphenolate is sourced from PubChem (CID 23677781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).