[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate

C22H16F2O4 — CID 7239747

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H16F2O4/c23-19-11-10-17(12-20(19)24)21(25)14-28-22(26)16-8-6-15(7-9-16)13-27-18-4-2-1-3-5-18/h1-12H,13-14H2
InChIKeyXEQWNDMJHYJYCY-UHFFFAOYSA-N
MW382.36 g/mol
LogP4.58
Rot. Bonds7

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

[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate (PubChem CID 7239747) has the molecular formula C22H16F2O4 and a molecular weight of 382.36 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
PubChem CID7239747
Molecular FormulaC22H16F2O4
Molecular Weight382.36 g/mol
Exact Mass382.10
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H16F2O4/c23-19-11-10-17(12-20(19)24)21(25)14-28-22(26)16-8-6-15(7-9-16)13-27-18-4-2-1-3-5-18/h1-12H,13-14H2
InChIKeyXEQWNDMJHYJYCY-UHFFFAOYSA-N
XLogP4.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
CID 2624761
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7546510
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(phenoxymethyl)benzoate
CID 7239727
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239775
(2-naphthalen-2-yl-2-oxoethyl) 4-[(4-bromophenoxy)methyl]benzoate
CID 126190799
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7221943
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate
CID 7809464
[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 55308373

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate (CID 7239747) is [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate is O=C(COC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The InChIKey is XEQWNDMJHYJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2O4/c23-19-11-10-17(12-20(19)24)21(25)14-28-22(26)16-8-6-15(7-9-16)13-27-18-4-2-1-3-5-18/h1-12H,13-14H2.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate has a molecular weight of 382.36 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate is sourced from PubChem (CID 7239747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).