potassium 2-chloro-2-phenylacetate

C8H6ClKO2 — CID 23694408

IUPACpotassium 2-chloro-2-phenylacetate
SMILESO=C([O-])C(Cl)c1ccccc1.[K+]
InChIInChI=1S/C8H7ClO2.K/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,(H,10,11);/q;+1/p-1
InChIKeyDZHLPMFPMYOBFQ-UHFFFAOYSA-M
MW208.69 g/mol
LogP-2.28
Rot. Bonds2

About potassium 2-chloro-2-phenylacetate

potassium 2-chloro-2-phenylacetate (PubChem CID 23694408) has the molecular formula C8H6ClKO2 and a molecular weight of 208.69 g/mol. Its IUPAC name is potassium 2-chloro-2-phenylacetate.

Molecular Properties

Compound Namepotassium 2-chloro-2-phenylacetate
PubChem CID23694408
Molecular FormulaC8H6ClKO2
Molecular Weight208.69 g/mol
Exact Mass207.97
IUPAC Namepotassium 2-chloro-2-phenylacetate
SMILESO=C([O-])C(Cl)c1ccccc1.[K+]
InChIInChI=1S/C8H7ClO2.K/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,(H,10,11);/q;+1/p-1
InChIKeyDZHLPMFPMYOBFQ-UHFFFAOYSA-M
XLogP-2.28
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-phenylpropan-2-one;ethane
CID 143290485
chloranium 2,2-diphenylacetate
CID 162326731
1-chloro-3-methyl-1-phenylbutan-2-one
CID 79006597
(2S)-2-bromo-2-phenylacetate
CID 7000043
(2S)-2,3-diphenylpropanoate
CID 6993748
azanium 2-phenylpropanoate
CID 146635852
cesium 2-phenylpropanoate
CID 23721405
1-chloro-6-hydroxy-1-phenylhexane-2,3-dione
CID 87705902
3-chloro-2-oxo-3-phenylpropane-1-sulfinic acid
CID 57131351
2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
CID 81235854
disodium;2-[carboxylato(phenyl)methoxy]-2-phenylacetate
CID 91666684
3-oxo-2-phenylpropanoate
CID 18187381

Frequently Asked Questions

What is the IUPAC name of potassium 2-chloro-2-phenylacetate?
The IUPAC name of potassium 2-chloro-2-phenylacetate (CID 23694408) is potassium 2-chloro-2-phenylacetate.
What is the SMILES notation for potassium 2-chloro-2-phenylacetate?
The canonical SMILES for potassium 2-chloro-2-phenylacetate is O=C([O-])C(Cl)c1ccccc1.[K+].
What is the InChIKey of potassium 2-chloro-2-phenylacetate?
The InChIKey is DZHLPMFPMYOBFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7ClO2.K/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-chloro-2-phenylacetate?
potassium 2-chloro-2-phenylacetate has a molecular weight of 208.69 g/mol, XLogP of -2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-chloro-2-phenylacetate is sourced from PubChem (CID 23694408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).