methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate

C12H15FO6 — CID 171865301

IUPACmethyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C12H15FO6/c1-17-8-4-6(7(13)5-9(8)18-2)10(14)11(15)12(16)19-3/h4-5,10-11,14-15H,1-3H3
InChIKeySYOAJNZSFCJEHB-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.41
Rot. Bonds5

About methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate

methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate (PubChem CID 171865301) has the molecular formula C12H15FO6 and a molecular weight of 274.24 g/mol. Its IUPAC name is methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
PubChem CID171865301
Molecular FormulaC12H15FO6
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Namemethyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C12H15FO6/c1-17-8-4-6(7(13)5-9(8)18-2)10(14)11(15)12(16)19-3/h4-5,10-11,14-15H,1-3H3
InChIKeySYOAJNZSFCJEHB-UHFFFAOYSA-N
XLogP0.41
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865302
3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170824441
methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
CID 117433363
methyl 3-(2,5-difluoro-4-nitrophenyl)-2,3-dihydroxypropanoate
CID 171864746
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
methyl 3-[4-fluoro-2-(hydroxymethyl)phenyl]-2,3-dihydroxypropanoate
CID 171863951
methyl 3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171864579
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
CID 171863279
methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate
CID 116964440
methyl 3-(4-amino-5-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171864078
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
methyl 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanoate
CID 171863882

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate (CID 171865301) is methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The InChIKey is SYOAJNZSFCJEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO6/c1-17-8-4-6(7(13)5-9(8)18-2)10(14)11(15)12(16)19-3/h4-5,10-11,14-15H,1-3H3.
What are the key properties of methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate?
methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate has a molecular weight of 274.24 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).