2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone

C16H14F2O4 — CID 78790506

IUPAC2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2ccc(F)cc2F)c(OC)c1
InChIInChI=1S/C16H14F2O4/c1-20-11-4-5-12(16(8-11)21-2)14(19)9-22-15-6-3-10(17)7-13(15)18/h3-8H,9H2,1-2H3
InChIKeyZPVMEBVEUBDCNO-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.24
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone

2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone (PubChem CID 78790506) has the molecular formula C16H14F2O4 and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
PubChem CID78790506
Molecular FormulaC16H14F2O4
Molecular Weight308.28 g/mol
Exact Mass308.09
IUPAC Name2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2ccc(F)cc2F)c(OC)c1
InChIInChI=1S/C16H14F2O4/c1-20-11-4-5-12(16(8-11)21-2)14(19)9-22-15-6-3-10(17)7-13(15)18/h3-8H,9H2,1-2H3
InChIKeyZPVMEBVEUBDCNO-UHFFFAOYSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 4314291
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914767
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968000
1-(3-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone (CID 78790506) is 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)COc2ccc(F)cc2F)c(OC)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is ZPVMEBVEUBDCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O4/c1-20-11-4-5-12(16(8-11)21-2)14(19)9-22-15-6-3-10(17)7-13(15)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone?
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 308.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 78790506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).