2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid

C42H32O7 — CID 57314417

IUPAC2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid
SMILESO=C(O)C(OC(=O)C(OC(C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32O7/c43-37(44)40(31-19-7-1-8-20-31,32-21-9-2-10-22-32)48-39(47)42(35-27-15-5-16-28-35,36-29-17-6-18-30-36)49-41(38(45)46,33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H,(H,43,44)(H,45,46)
InChIKeyJQZORGWTJMGNGE-UHFFFAOYSA-N
MW648.71 g/mol
LogP7.55
Rot. Bonds12

About 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid

2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid (PubChem CID 57314417) has the molecular formula C42H32O7 and a molecular weight of 648.71 g/mol. Its IUPAC name is 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid.

Molecular Properties

Compound Name2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid
PubChem CID57314417
Molecular FormulaC42H32O7
Molecular Weight648.71 g/mol
Exact Mass648.21
IUPAC Name2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid
SMILESO=C(O)C(OC(=O)C(OC(C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32O7/c43-37(44)40(31-19-7-1-8-20-31,32-21-9-2-10-22-32)48-39(47)42(35-27-15-5-16-28-35,36-29-17-6-18-30-36)49-41(38(45)46,33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H,(H,43,44)(H,45,46)
InChIKeyJQZORGWTJMGNGE-UHFFFAOYSA-N
XLogP7.55
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.71
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroperoxy-2,2-diphenylacetic acid
CID 5314128
2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid
CID 19604725
2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid
CID 174409827
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
2-methoxy-2,2-diphenylacetic acid;pentan-3-amine
CID 173385536
1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
CID 173385557
2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid
CID 170850849
[iodo-phenyl-(2,2,2-trifluoroacetyl)oxymethyl] 2,2,2-trifluoroacetate
CID 71744238
3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid?
The IUPAC name of 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid (CID 57314417) is 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid.
What is the SMILES notation for 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid?
The canonical SMILES for 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid is O=C(O)C(OC(=O)C(OC(C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid?
The InChIKey is JQZORGWTJMGNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32O7/c43-37(44)40(31-19-7-1-8-20-31,32-21-9-2-10-22-32)48-39(47)42(35-27-15-5-16-28-35,36-29-17-6-18-30-36)49-41(38(45)46,33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H,(H,43,44)(H,45,46).
What are the key properties of 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid?
2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid has a molecular weight of 648.71 g/mol, XLogP of 7.55, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid is sourced from PubChem (CID 57314417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).