2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid

C22H18O4 — CID 19604725

IUPAC2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid
SMILESO=C(Cc1ccccc1)OC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O4/c23-20(16-17-10-4-1-5-11-17)26-22(21(24)25,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,25)
InChIKeyHAHFEYXPJCKJJZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.80
Rot. Bonds6

About 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid

2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid (PubChem CID 19604725) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid.

Molecular Properties

Compound Name2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid
PubChem CID19604725
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid
SMILESO=C(Cc1ccccc1)OC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O4/c23-20(16-17-10-4-1-5-11-17)26-22(21(24)25,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,25)
InChIKeyHAHFEYXPJCKJJZ-UHFFFAOYSA-N
XLogP3.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid
CID 57314417
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
2-hydroperoxy-2,2-diphenylacetic acid
CID 5314128
CID 174393592
CID 174393592
CID 172801156
CID 172801156
acetyloxymethyl 2-phenylacetate
CID 121486345
ethyl 2-phenylacetate
CID 7590
(2-phenylacetyl) propanoate
CID 91029268
phenyl 2-phenylacetate;zinc
CID 70522084
tris(2-phenylacetyl) ethane-1,1,1-tricarboxylate
CID 173141327
benzene;1-phenylpropan-2-one
CID 21430852
triethyl 2-(2-phenylacetyl)oxypropane-1,2,3-tricarboxylate
CID 175186027

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid?
The IUPAC name of 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid (CID 19604725) is 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid.
What is the SMILES notation for 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid?
The canonical SMILES for 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid is O=C(Cc1ccccc1)OC(C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid?
The InChIKey is HAHFEYXPJCKJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c23-20(16-17-10-4-1-5-11-17)26-22(21(24)25,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,25).
What are the key properties of 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid?
2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid has a molecular weight of 346.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid is sourced from PubChem (CID 19604725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).