1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone

C23H19FO5 — CID 4314291

IUPAC1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
SMILESCOc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c(OC)c1
InChIInChI=1S/C23H19FO5/c1-27-19-11-12-20(22(13-19)28-2)21(25)14-29-18-9-5-16(6-10-18)23(26)15-3-7-17(24)8-4-15/h3-13H,14H2,1-2H3
InChIKeyDIXNLCUWUFDYAD-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.34
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone

1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone (PubChem CID 4314291) has the molecular formula C23H19FO5 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
PubChem CID4314291
Molecular FormulaC23H19FO5
Molecular Weight394.40 g/mol
Exact Mass394.12
IUPAC Name1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
SMILESCOc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c(OC)c1
InChIInChI=1S/C23H19FO5/c1-27-19-11-12-20(22(13-19)28-2)21(25)14-29-18-9-5-16(6-10-18)23(26)15-3-7-17(24)8-4-15/h3-13H,14H2,1-2H3
InChIKeyDIXNLCUWUFDYAD-UHFFFAOYSA-N
XLogP4.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone
CID 2086964
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914767
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925475
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2463382
[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 7795233

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone (CID 4314291) is 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone is COc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone?
The InChIKey is DIXNLCUWUFDYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO5/c1-27-19-11-12-20(22(13-19)28-2)21(25)14-29-18-9-5-16(6-10-18)23(26)15-3-7-17(24)8-4-15/h3-13H,14H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone?
1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone has a molecular weight of 394.40 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone is sourced from PubChem (CID 4314291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).