[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

C24H20F2O6 — CID 2429143

IUPAC[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)OCC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20F2O6/c25-24(26)32-21-8-6-18(7-9-21)22(27)15-31-23(28)16-30-20-12-10-19(11-13-20)29-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2
InChIKeyARZHEOZSHSAQAG-UHFFFAOYSA-N
MW442.41 g/mol
LogP4.67
Rot. Bonds11

About [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 2429143) has the molecular formula C24H20F2O6 and a molecular weight of 442.41 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID2429143
Molecular FormulaC24H20F2O6
Molecular Weight442.41 g/mol
Exact Mass442.12
IUPAC Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)OCC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20F2O6/c25-24(26)32-21-8-6-18(7-9-21)22(27)15-31-23(28)16-30-20-12-10-19(11-13-20)29-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2
InChIKeyARZHEOZSHSAQAG-UHFFFAOYSA-N
XLogP4.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate 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-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8675785
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
1-O-ethyl 3-O-[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-ethylpropanedioate
CID 174482969
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 4269875
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2421833
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 2429143) is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is O=C(COc1ccc(OCc2ccccc2)cc1)OCC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is ARZHEOZSHSAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2O6/c25-24(26)32-21-8-6-18(7-9-21)22(27)15-31-23(28)16-30-20-12-10-19(11-13-20)29-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2.
What are the key properties of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 442.41 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 2429143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).