potassium 4-methylphenolate

C7H7KO — CID 23676568

IUPACpotassium 4-methylphenolate
SMILESCc1ccc([O-])cc1.[K+]
InChIInChI=1S/C7H8O.K/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;/q;+1/p-1
InChIKeyRRAHCFJFWDVGGZ-UHFFFAOYSA-M
MW146.23 g/mol
LogP-1.93
Rot. Bonds

About potassium 4-methylphenolate

potassium 4-methylphenolate (PubChem CID 23676568) has the molecular formula C7H7KO and a molecular weight of 146.23 g/mol. Its IUPAC name is potassium 4-methylphenolate.

Molecular Properties

Compound Namepotassium 4-methylphenolate
PubChem CID23676568
Molecular FormulaC7H7KO
Molecular Weight146.23 g/mol
Exact Mass146.01
IUPAC Namepotassium 4-methylphenolate
SMILESCc1ccc([O-])cc1.[K+]
InChIInChI=1S/C7H8O.K/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;/q;+1/p-1
InChIKeyRRAHCFJFWDVGGZ-UHFFFAOYSA-M
XLogP-1.93
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 4-methylphenolate?
The IUPAC name of potassium 4-methylphenolate (CID 23676568) is potassium 4-methylphenolate.
What is the SMILES notation for potassium 4-methylphenolate?
The canonical SMILES for potassium 4-methylphenolate is Cc1ccc([O-])cc1.[K+].
What is the InChIKey of potassium 4-methylphenolate?
The InChIKey is RRAHCFJFWDVGGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O.K/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;/q;+1/p-1.
What are the key properties of potassium 4-methylphenolate?
potassium 4-methylphenolate has a molecular weight of 146.23 g/mol, XLogP of -1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-methylphenolate is sourced from PubChem (CID 23676568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).