[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate

C15H10F2O4 — CID 2624761

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2O4/c16-12-6-3-10(7-13(12)17)14(19)8-21-15(20)9-1-4-11(18)5-2-9/h1-7,18H,8H2
InChIKeyXCFWPJYDUYUHAE-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.71
Rot. Bonds4

About [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate

[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2624761) has the molecular formula C15H10F2O4 and a molecular weight of 292.24 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2624761
Molecular FormulaC15H10F2O4
Molecular Weight292.24 g/mol
Exact Mass292.05
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2O4/c16-12-6-3-10(7-13(12)17)14(19)8-21-15(20)9-1-4-11(18)5-2-9/h1-7,18H,8H2
InChIKeyXCFWPJYDUYUHAE-UHFFFAOYSA-N
XLogP2.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluorophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 7834788
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239747
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate
CID 8661722
[2-(3,4-difluorophenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580054
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553626
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914933
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2598584
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate
CID 2624699
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate
CID 7809464
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2599848

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate (CID 2624761) is [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is XCFWPJYDUYUHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O4/c16-12-6-3-10(7-13(12)17)14(19)8-21-15(20)9-1-4-11(18)5-2-9/h1-7,18H,8H2.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 292.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2624761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).