[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C22H17FO4 — CID 8675820

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H17FO4/c23-19-13-7-8-16(14-19)20(24)15-27-21(25)22(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,26H,15H2
InChIKeyBYQQORWWAOFNJP-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.49
Rot. Bonds6

About [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 8675820) has the molecular formula C22H17FO4 and a molecular weight of 364.37 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID8675820
Molecular FormulaC22H17FO4
Molecular Weight364.37 g/mol
Exact Mass364.11
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H17FO4/c23-19-13-7-8-16(14-19)20(24)15-27-21(25)22(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,26H,15H2
InChIKeyBYQQORWWAOFNJP-UHFFFAOYSA-N
XLogP3.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191528
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191512
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
2-(3,3-dimethylbutoxy)-1-(3-fluorophenyl)ethanone
CID 66234529
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 4269875
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800565
bromomethane;(3-hydroxy-2-phenylprop-2-enyl) 2,2-bis(4-fluorophenyl)-2-hydroxyacetate
CID 66600852
5-(3-fluorophenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004499
[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
CID 19132570
[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8675785
[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8677319

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 8675820) is [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is BYQQORWWAOFNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO4/c23-19-13-7-8-16(14-19)20(24)15-27-21(25)22(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,26H,15H2.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 364.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 8675820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).