[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate

C19H17FO6 — CID 7547367

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2ccc(C(C)=O)cc2)cc1F
InChIInChI=1S/C19H17FO6/c1-12(21)13-3-6-15(7-4-13)25-11-19(23)26-10-17(22)14-5-8-18(24-2)16(20)9-14/h3-9H,10-11H2,1-2H3
InChIKeyCHLCKMSHERDCOA-UHFFFAOYSA-N
MW360.34 g/mol
LogP2.84
Rot. Bonds8

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate (PubChem CID 7547367) has the molecular formula C19H17FO6 and a molecular weight of 360.34 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
PubChem CID7547367
Molecular FormulaC19H17FO6
Molecular Weight360.34 g/mol
Exact Mass360.10
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2ccc(C(C)=O)cc2)cc1F
InChIInChI=1S/C19H17FO6/c1-12(21)13-3-6-15(7-4-13)25-11-19(23)26-10-17(22)14-5-8-18(24-2)16(20)9-14/h3-9H,10-11H2,1-2H3
InChIKeyCHLCKMSHERDCOA-UHFFFAOYSA-N
XLogP2.84
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 55406579
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 7550629
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 81315368

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate (CID 7547367) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate is COc1ccc(C(=O)COC(=O)COc2ccc(C(C)=O)cc2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The InChIKey is CHLCKMSHERDCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO6/c1-12(21)13-3-6-15(7-4-13)25-11-19(23)26-10-17(22)14-5-8-18(24-2)16(20)9-14/h3-9H,10-11H2,1-2H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate has a molecular weight of 360.34 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 7547367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).