potassium 2-tert-butylphenolate

C10H13KO — CID 23663693

IUPACpotassium 2-tert-butylphenolate
SMILESCC(C)(C)c1ccccc1[O-].[K+]
InChIInChI=1S/C10H14O.K/c1-10(2,3)8-6-4-5-7-9(8)11;/h4-7,11H,1-3H3;/q;+1/p-1
InChIKeyMJJRTHQWOQIYOB-UHFFFAOYSA-M
MW188.31 g/mol
LogP-0.94
Rot. Bonds

About potassium 2-tert-butylphenolate

potassium 2-tert-butylphenolate (PubChem CID 23663693) has the molecular formula C10H13KO and a molecular weight of 188.31 g/mol. Its IUPAC name is potassium 2-tert-butylphenolate.

Molecular Properties

Compound Namepotassium 2-tert-butylphenolate
PubChem CID23663693
Molecular FormulaC10H13KO
Molecular Weight188.31 g/mol
Exact Mass188.06
IUPAC Namepotassium 2-tert-butylphenolate
SMILESCC(C)(C)c1ccccc1[O-].[K+]
InChIInChI=1S/C10H14O.K/c1-10(2,3)8-6-4-5-7-9(8)11;/h4-7,11H,1-3H3;/q;+1/p-1
InChIKeyMJJRTHQWOQIYOB-UHFFFAOYSA-M
XLogP-0.94
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 2-tert-butylphenolate?
The IUPAC name of potassium 2-tert-butylphenolate (CID 23663693) is potassium 2-tert-butylphenolate.
What is the SMILES notation for potassium 2-tert-butylphenolate?
The canonical SMILES for potassium 2-tert-butylphenolate is CC(C)(C)c1ccccc1[O-].[K+].
What is the InChIKey of potassium 2-tert-butylphenolate?
The InChIKey is MJJRTHQWOQIYOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O.K/c1-10(2,3)8-6-4-5-7-9(8)11;/h4-7,11H,1-3H3;/q;+1/p-1.
What are the key properties of potassium 2-tert-butylphenolate?
potassium 2-tert-butylphenolate has a molecular weight of 188.31 g/mol, XLogP of -0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-tert-butylphenolate is sourced from PubChem (CID 23663693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).