potassium 5-methyl-2-propan-2-ylphenolate

C10H13KO — CID 23693969

IUPACpotassium 5-methyl-2-propan-2-ylphenolate
SMILESCc1ccc(C(C)C)c([O-])c1.[K+]
InChIInChI=1S/C10H14O.K/c1-7(2)9-5-4-8(3)6-10(9)11;/h4-7,11H,1-3H3;/q;+1/p-1
InChIKeyDMUNKSNFSSPPAM-UHFFFAOYSA-M
MW188.31 g/mol
LogP-0.80
Rot. Bonds1

About potassium 5-methyl-2-propan-2-ylphenolate

potassium 5-methyl-2-propan-2-ylphenolate (PubChem CID 23693969) has the molecular formula C10H13KO and a molecular weight of 188.31 g/mol. Its IUPAC name is potassium 5-methyl-2-propan-2-ylphenolate.

Molecular Properties

Compound Namepotassium 5-methyl-2-propan-2-ylphenolate
PubChem CID23693969
Molecular FormulaC10H13KO
Molecular Weight188.31 g/mol
Exact Mass188.06
IUPAC Namepotassium 5-methyl-2-propan-2-ylphenolate
SMILESCc1ccc(C(C)C)c([O-])c1.[K+]
InChIInChI=1S/C10H14O.K/c1-7(2)9-5-4-8(3)6-10(9)11;/h4-7,11H,1-3H3;/q;+1/p-1
InChIKeyDMUNKSNFSSPPAM-UHFFFAOYSA-M
XLogP-0.80
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene
CID 91389922
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
5-methyl-2-propan-2-ylphenol;phosphoric acid
CID 67743419
methyl-bis(4-methyl-2-propan-2-ylphenyl)bismuthane
CID 164733383
1-chloro-6-methyl-4-propan-2-ylisoquinoline
CID 115063224
dichloro-[(5-methyl-2-propan-2-ylphenyl)methylidene]ruthenium
CID 162017380
potassium 2,4-dimethylphenolate
CID 23677781

Frequently Asked Questions

What is the IUPAC name of potassium 5-methyl-2-propan-2-ylphenolate?
The IUPAC name of potassium 5-methyl-2-propan-2-ylphenolate (CID 23693969) is potassium 5-methyl-2-propan-2-ylphenolate.
What is the SMILES notation for potassium 5-methyl-2-propan-2-ylphenolate?
The canonical SMILES for potassium 5-methyl-2-propan-2-ylphenolate is Cc1ccc(C(C)C)c([O-])c1.[K+].
What is the InChIKey of potassium 5-methyl-2-propan-2-ylphenolate?
The InChIKey is DMUNKSNFSSPPAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O.K/c1-7(2)9-5-4-8(3)6-10(9)11;/h4-7,11H,1-3H3;/q;+1/p-1.
What are the key properties of potassium 5-methyl-2-propan-2-ylphenolate?
potassium 5-methyl-2-propan-2-ylphenolate has a molecular weight of 188.31 g/mol, XLogP of -0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-methyl-2-propan-2-ylphenolate is sourced from PubChem (CID 23693969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).