potassium 1-(4-ethylphenyl)propan-1-one

C11H13KO — CID 153337070

IUPACpotassium 1-(4-ethylphenyl)propan-1-one
SMILES[CH2-]Cc1ccc(C(=O)CC)cc1.[K+]
InChIInChI=1S/C11H13O.K/c1-3-9-5-7-10(8-6-9)11(12)4-2;/h5-8H,1,3-4H2,2H3;/q-1;+1
InChIKeyNIIQCSJVUYLTAA-UHFFFAOYSA-N
MW200.32 g/mol
LogP-0.34
Rot. Bonds3

About potassium 1-(4-ethylphenyl)propan-1-one

potassium 1-(4-ethylphenyl)propan-1-one (PubChem CID 153337070) has the molecular formula C11H13KO and a molecular weight of 200.32 g/mol. Its IUPAC name is potassium 1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Namepotassium 1-(4-ethylphenyl)propan-1-one
PubChem CID153337070
Molecular FormulaC11H13KO
Molecular Weight200.32 g/mol
Exact Mass200.06
IUPAC Namepotassium 1-(4-ethylphenyl)propan-1-one
SMILES[CH2-]Cc1ccc(C(=O)CC)cc1.[K+]
InChIInChI=1S/C11H13O.K/c1-3-9-5-7-10(8-6-9)11(12)4-2;/h5-8H,1,3-4H2,2H3;/q-1;+1
InChIKeyNIIQCSJVUYLTAA-UHFFFAOYSA-N
XLogP-0.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1-(4-aminophenyl)propan-1-one
CID 6270
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
1-phenyl(111C)propan-1-one
CID 11159350
1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one
CID 4244816
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
1-[4-(aminomethyl)phenyl]propan-1-one;2,2,2-trifluoroacetic acid
CID 66921022
(E)-3-(4-propanoylphenyl)prop-2-enoic acid
CID 18348058
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
4-propanoylbenzenesulfonic acid
CID 151190628

Frequently Asked Questions

What is the IUPAC name of potassium 1-(4-ethylphenyl)propan-1-one?
The IUPAC name of potassium 1-(4-ethylphenyl)propan-1-one (CID 153337070) is potassium 1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for potassium 1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for potassium 1-(4-ethylphenyl)propan-1-one is [CH2-]Cc1ccc(C(=O)CC)cc1.[K+].
What is the InChIKey of potassium 1-(4-ethylphenyl)propan-1-one?
The InChIKey is NIIQCSJVUYLTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O.K/c1-3-9-5-7-10(8-6-9)11(12)4-2;/h5-8H,1,3-4H2,2H3;/q-1;+1.
What are the key properties of potassium 1-(4-ethylphenyl)propan-1-one?
potassium 1-(4-ethylphenyl)propan-1-one has a molecular weight of 200.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 153337070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).