[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

C18H17FO6 — CID 8914767

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C18H17FO6/c1-22-13-6-7-15(17(9-13)23-2)16(20)10-25-18(21)11-24-14-5-3-4-12(19)8-14/h3-9H,10-11H2,1-2H3
InChIKeyWFSCUJOMQFTJHY-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.65
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (PubChem CID 8914767) has the molecular formula C18H17FO6 and a molecular weight of 348.33 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
PubChem CID8914767
Molecular FormulaC18H17FO6
Molecular Weight348.33 g/mol
Exact Mass348.10
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C18H17FO6/c1-22-13-6-7-15(17(9-13)23-2)16(20)10-25-18(21)11-24-14-5-3-4-12(19)8-14/h3-9H,10-11H2,1-2H3
InChIKeyWFSCUJOMQFTJHY-UHFFFAOYSA-N
XLogP2.65
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694899
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914732
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 4314291
butyl 2-(3-fluorophenoxy)acetate
CID 60644291
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2463382
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701600

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (CID 8914767) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is COc1ccc(C(=O)COC(=O)COc2cccc(F)c2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The InChIKey is WFSCUJOMQFTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO6/c1-22-13-6-7-15(17(9-13)23-2)16(20)10-25-18(21)11-24-14-5-3-4-12(19)8-14/h3-9H,10-11H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate has a molecular weight of 348.33 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 8914767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).