chloranium 2,2-diphenylacetate

C14H13ClO2 — CID 162326731

IUPACchloranium 2,2-diphenylacetate
SMILESO=C([O-])C(c1ccccc1)c1ccccc1.[ClH2+]
InChIInChI=1S/C14H12O2.ClH2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,(H,15,16);1H2/q;+1/p-1
InChIKeyWTNJECGEOMHTQT-UHFFFAOYSA-M
MW248.71 g/mol
LogP1.03
Rot. Bonds3

About chloranium 2,2-diphenylacetate

chloranium 2,2-diphenylacetate (PubChem CID 162326731) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is chloranium 2,2-diphenylacetate.

Molecular Properties

Compound Namechloranium 2,2-diphenylacetate
PubChem CID162326731
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Namechloranium 2,2-diphenylacetate
SMILESO=C([O-])C(c1ccccc1)c1ccccc1.[ClH2+]
InChIInChI=1S/C14H12O2.ClH2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,(H,15,16);1H2/q;+1/p-1
InChIKeyWTNJECGEOMHTQT-UHFFFAOYSA-M
XLogP1.03
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenylacetate;(2-hydroxy-1-phenylethyl)-trimethylazanium;hydrobromide
CID 23623389
2-(2-methoxyphenyl)-2-phenylacetate
CID 57353343
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
(2S)-2-bromo-2-phenylacetate
CID 7000043
(2S)-2-[(2,2-diphenylacetyl)amino]propanoate
CID 6946270
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
cesium 2-phenylpropanoate
CID 23721405
azanium 2-phenylpropanoate
CID 146635852
potassium 2-chloro-2-phenylacetate
CID 23694408
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
sodium 2,2-diphenylethanethioate
CID 88787472

Frequently Asked Questions

What is the IUPAC name of chloranium 2,2-diphenylacetate?
The IUPAC name of chloranium 2,2-diphenylacetate (CID 162326731) is chloranium 2,2-diphenylacetate.
What is the SMILES notation for chloranium 2,2-diphenylacetate?
The canonical SMILES for chloranium 2,2-diphenylacetate is O=C([O-])C(c1ccccc1)c1ccccc1.[ClH2+].
What is the InChIKey of chloranium 2,2-diphenylacetate?
The InChIKey is WTNJECGEOMHTQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O2.ClH2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,(H,15,16);1H2/q;+1/p-1.
What are the key properties of chloranium 2,2-diphenylacetate?
chloranium 2,2-diphenylacetate has a molecular weight of 248.71 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloranium 2,2-diphenylacetate is sourced from PubChem (CID 162326731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).