2-(2,2-diphenylethenoxy)-2-oxoacetic acid

C16H12O4 — CID 150651054

IUPAC2-(2,2-diphenylethenoxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)OC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12O4/c17-15(18)16(19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,17,18)
InChIKeyJBWRKWQHFZWHPJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.70
Rot. Bonds3

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

2-(2,2-diphenylethenoxy)-2-oxoacetic acid (PubChem CID 150651054) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2,2-diphenylethenoxy)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2,2-diphenylethenoxy)-2-oxoacetic acid
PubChem CID150651054
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2-(2,2-diphenylethenoxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)OC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12O4/c17-15(18)16(19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,17,18)
InChIKeyJBWRKWQHFZWHPJ-UHFFFAOYSA-N
XLogP2.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenylethenyl benzenecarboperoxoate
CID 87455331
2-methylprop-1-enyl benzoate
CID 10487501
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
CID 18740011
ethenyl benzoate
CID 158178912
[(Z)-2-methyl-3-oxo-3-phenylprop-1-enyl] acetate
CID 10488404
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenoxy)-2-oxoacetic acid?
The IUPAC name of 2-(2,2-diphenylethenoxy)-2-oxoacetic acid (CID 150651054) is 2-(2,2-diphenylethenoxy)-2-oxoacetic acid.
What is the SMILES notation for 2-(2,2-diphenylethenoxy)-2-oxoacetic acid?
The canonical SMILES for 2-(2,2-diphenylethenoxy)-2-oxoacetic acid is O=C(O)C(=O)OC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylethenoxy)-2-oxoacetic acid?
The InChIKey is JBWRKWQHFZWHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-15(18)16(19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,17,18).
What are the key properties of 2-(2,2-diphenylethenoxy)-2-oxoacetic acid?
2-(2,2-diphenylethenoxy)-2-oxoacetic acid has a molecular weight of 268.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenoxy)-2-oxoacetic acid is sourced from PubChem (CID 150651054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).