2-(2,2-diphenylethoxy)-2-oxoacetic acid

C16H14O4 — CID 70576459

IUPAC2-(2,2-diphenylethoxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)OCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O4/c17-15(18)16(19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)
InChIKeyHTNGJCFQRUINAR-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.45
Rot. Bonds4

About 2-(2,2-diphenylethoxy)-2-oxoacetic acid

2-(2,2-diphenylethoxy)-2-oxoacetic acid (PubChem CID 70576459) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2,2-diphenylethoxy)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2,2-diphenylethoxy)-2-oxoacetic acid
PubChem CID70576459
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(2,2-diphenylethoxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)OCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O4/c17-15(18)16(19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)
InChIKeyHTNGJCFQRUINAR-UHFFFAOYSA-N
XLogP2.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(2-phenylbutoxy)acetic acid
CID 22390935
6-(2,2-diphenylethoxy)-6-oxohexanoic acid
CID 141096193
2-phenylpropyl 2-chloro-2-oxoacetate
CID 57296608
oxalic acid;1-phenylpropylbenzene
CID 67824543
2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
CID 175934339
2-(2-phenylpentoxycarbonyl)prop-2-enoic acid
CID 141491590
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
2-phenylpropyl 2-methylpropanoate
CID 576240
[(2S)-2-phenylpropyl] acetate
CID 10261650
[(2R)-2-phenylpropyl] carbamate
CID 175384997
2,2-diphenylethanesulfonamide
CID 68954742

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethoxy)-2-oxoacetic acid?
The IUPAC name of 2-(2,2-diphenylethoxy)-2-oxoacetic acid (CID 70576459) is 2-(2,2-diphenylethoxy)-2-oxoacetic acid.
What is the SMILES notation for 2-(2,2-diphenylethoxy)-2-oxoacetic acid?
The canonical SMILES for 2-(2,2-diphenylethoxy)-2-oxoacetic acid is O=C(O)C(=O)OCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylethoxy)-2-oxoacetic acid?
The InChIKey is HTNGJCFQRUINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-15(18)16(19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18).
What are the key properties of 2-(2,2-diphenylethoxy)-2-oxoacetic acid?
2-(2,2-diphenylethoxy)-2-oxoacetic acid has a molecular weight of 270.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethoxy)-2-oxoacetic acid is sourced from PubChem (CID 70576459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).