methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate

C15H19FO5 — CID 169157452

IUPACmethyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC[C@@H]2COCCO2)cc1F
InChIInChI=1S/C15H19FO5/c1-18-15(17)8-11-2-3-12(9-14(11)16)20-5-4-13-10-19-6-7-21-13/h2-3,9,13H,4-8,10H2,1H3/t13-/m1/s1
InChIKeyKQKYLSOYWJVORY-CYBMUJFWSA-N
MW298.31 g/mol
LogP1.73
Rot. Bonds6

About methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate

methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate (PubChem CID 169157452) has the molecular formula C15H19FO5 and a molecular weight of 298.31 g/mol. Its IUPAC name is methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate
PubChem CID169157452
Molecular FormulaC15H19FO5
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Namemethyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC[C@@H]2COCCO2)cc1F
InChIInChI=1S/C15H19FO5/c1-18-15(17)8-11-2-3-12(9-14(11)16)20-5-4-13-10-19-6-7-21-13/h2-3,9,13H,4-8,10H2,1H3/t13-/m1/s1
InChIKeyKQKYLSOYWJVORY-CYBMUJFWSA-N
XLogP1.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
CID 169157068
methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
CID 169157044
2-[2-[4-(trifluoromethylsulfonyl)phenoxy]ethyl]-1,4-dioxane
CID 166266733
3-[6-[2-(1,4-dioxan-2-yl)ethoxy]naphthalen-2-yl]-N-methylbenzamide
CID 175643969
methyl 2-[2-fluoro-4-[3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]propoxy]phenyl]acetate
CID 165404534
methyl 2-[2-fluoro-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]phenyl]acetate
CID 143923614
2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane
CID 167841226
methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
CID 91881338
ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one
CID 170597012
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
2,2-dimethoxy-1,2-bis[4-[2-(oxiran-2-yl)ethoxy]phenyl]ethanone
CID 145297690
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate?
The IUPAC name of methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate (CID 169157452) is methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate is COC(=O)Cc1ccc(OCC[C@@H]2COCCO2)cc1F.
What is the InChIKey of methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate?
The InChIKey is KQKYLSOYWJVORY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19FO5/c1-18-15(17)8-11-2-3-12(9-14(11)16)20-5-4-13-10-19-6-7-21-13/h2-3,9,13H,4-8,10H2,1H3/t13-/m1/s1.
What are the key properties of methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate?
methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate has a molecular weight of 298.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate is sourced from PubChem (CID 169157452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).