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

C18H17FO6 — CID 7842228

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2ccccc2F)c(OC)c1
InChIInChI=1S/C18H17FO6/c1-22-12-7-8-13(17(9-12)23-2)15(20)10-25-18(21)11-24-16-6-4-3-5-14(16)19/h3-9H,10-11H2,1-2H3
InChIKeyLCRDTYVYHHFDFN-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.65
Rot. Bonds8

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

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 7842228) 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-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID7842228
Molecular FormulaC18H17FO6
Molecular Weight348.33 g/mol
Exact Mass348.10
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2ccccc2F)c(OC)c1
InChIInChI=1S/C18H17FO6/c1-22-12-7-8-13(17(9-12)23-2)15(20)10-25-18(21)11-24-16-6-4-3-5-14(16)19/h3-9H,10-11H2,1-2H3
InChIKeyLCRDTYVYHHFDFN-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-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914767
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701600
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694899
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23964948
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
CID 23988615
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318517

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 7842228) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate is COc1ccc(C(=O)COC(=O)COc2ccccc2F)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is LCRDTYVYHHFDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO6/c1-22-12-7-8-13(17(9-12)23-2)15(20)10-25-18(21)11-24-16-6-4-3-5-14(16)19/h3-9H,10-11H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-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-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).