potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate

C14H9Cl2KO3 — CID 102059899

IUPACpotassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
SMILESO=C([O-])C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C14H10Cl2O3.K/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10;/h1-8,19H,(H,17,18);/q;+1/p-1
InChIKeySLHZDKMIIJIKOW-UHFFFAOYSA-M
MW335.23 g/mol
LogP-1.02
Rot. Bonds3

About potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate

potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate (PubChem CID 102059899) has the molecular formula C14H9Cl2KO3 and a molecular weight of 335.23 g/mol. Its IUPAC name is potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namepotassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
PubChem CID102059899
Molecular FormulaC14H9Cl2KO3
Molecular Weight335.23 g/mol
Exact Mass333.96
IUPAC Namepotassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
SMILESO=C([O-])C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C14H10Cl2O3.K/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10;/h1-8,19H,(H,17,18);/q;+1/p-1
InChIKeySLHZDKMIIJIKOW-UHFFFAOYSA-M
XLogP-1.02
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2,2-diphenylacetate;hydrochloride
CID 21418239
2,2-bis(3,4-difluorophenyl)-2-hydroxyacetate;bromomethane
CID 22044228
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
2-(4-chlorophenoxy)-2-methylpropanoate
CID 6918953
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
2-(4-chlorophenyl)-2-oxoacetate
CID 18626556
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
tert-butyl (2S)-2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate
CID 138979093
2-(4-chlorophenyl)-N,2-dihydroxy-N-methylpropanamide
CID 14787850
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
CID 125488677

Frequently Asked Questions

What is the IUPAC name of potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The IUPAC name of potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate (CID 102059899) is potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The canonical SMILES for potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate is O=C([O-])C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The InChIKey is SLHZDKMIIJIKOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10Cl2O3.K/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10;/h1-8,19H,(H,17,18);/q;+1/p-1.
What are the key properties of potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate has a molecular weight of 335.23 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 102059899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).