potassium 1-(4-methylphenyl)ethenolate

C9H9KO — CID 101141531

IUPACpotassium 1-(4-methylphenyl)ethenolate
SMILESC=C([O-])c1ccc(C)cc1.[K+]
InChIInChI=1S/C9H10O.K/c1-7-3-5-9(6-4-7)8(2)10;/h3-6,10H,2H2,1H3;/q;+1/p-1
InChIKeyHJOLUBGTTNCEDL-UHFFFAOYSA-M
MW172.27 g/mol
LogP-1.67
Rot. Bonds1

About potassium 1-(4-methylphenyl)ethenolate

potassium 1-(4-methylphenyl)ethenolate (PubChem CID 101141531) has the molecular formula C9H9KO and a molecular weight of 172.27 g/mol. Its IUPAC name is potassium 1-(4-methylphenyl)ethenolate.

Molecular Properties

Compound Namepotassium 1-(4-methylphenyl)ethenolate
PubChem CID101141531
Molecular FormulaC9H9KO
Molecular Weight172.27 g/mol
Exact Mass172.03
IUPAC Namepotassium 1-(4-methylphenyl)ethenolate
SMILESC=C([O-])c1ccc(C)cc1.[K+]
InChIInChI=1S/C9H10O.K/c1-7-3-5-9(6-4-7)8(2)10;/h3-6,10H,2H2,1H3;/q;+1/p-1
InChIKeyHJOLUBGTTNCEDL-UHFFFAOYSA-M
XLogP-1.67
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
sodium 2-(4-methylphenyl)-2-oxoacetate
CID 23700954
mercury(2+);bis(4-methylbenzoate)
CID 22604467
gadolinium(3+);tris(4-methylbenzoate)
CID 159199337
azanium 4-methylbenzoate
CID 67114247
sodium 4-methylselenobenzate
CID 23712547
tetrazinc;hexakis(4-methylbenzoate);oxygen(2-)
CID 139137478
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
potassium;hydride;1,4-xylene
CID 173420414
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721

Frequently Asked Questions

What is the IUPAC name of potassium 1-(4-methylphenyl)ethenolate?
The IUPAC name of potassium 1-(4-methylphenyl)ethenolate (CID 101141531) is potassium 1-(4-methylphenyl)ethenolate.
What is the SMILES notation for potassium 1-(4-methylphenyl)ethenolate?
The canonical SMILES for potassium 1-(4-methylphenyl)ethenolate is C=C([O-])c1ccc(C)cc1.[K+].
What is the InChIKey of potassium 1-(4-methylphenyl)ethenolate?
The InChIKey is HJOLUBGTTNCEDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O.K/c1-7-3-5-9(6-4-7)8(2)10;/h3-6,10H,2H2,1H3;/q;+1/p-1.
What are the key properties of potassium 1-(4-methylphenyl)ethenolate?
potassium 1-(4-methylphenyl)ethenolate has a molecular weight of 172.27 g/mol, XLogP of -1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(4-methylphenyl)ethenolate is sourced from PubChem (CID 101141531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).