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

C12H16O6 — CID 171864351

IUPACmethyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H16O6/c1-16-8-4-7(5-9(6-8)17-2)10(13)11(14)12(15)18-3/h4-6,10-11,13-14H,1-3H3
InChIKeyVNHHHLPUMRZFHD-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.27
Rot. Bonds5

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

methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate (PubChem CID 171864351) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
PubChem CID171864351
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Namemethyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H16O6/c1-16-8-4-7(5-9(6-8)17-2)10(13)11(14)12(15)18-3/h4-6,10-11,13-14H,1-3H3
InChIKeyVNHHHLPUMRZFHD-UHFFFAOYSA-N
XLogP0.27
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
CID 94376627
methyl 3-(4-amino-3,5-dichlorophenyl)-2,3-dihydroxypropanoate
CID 171864144
methyl 3-(2,6-difluoro-4-pyridinyl)-2,3-dihydroxypropanoate
CID 171865158
methyl 3-(4-chloro-3,5-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171863894
methyl 3-(4-bromo-3,5-difluorophenyl)-2,3-dihydroxypropanoate
CID 171865169
methyl (2R,3S)-3-(3,5-dimethoxyphenyl)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 177484692
methyl 2-cyano-2-(3,5-dimethoxyphenyl)acetate
CID 121013498
methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
CID 117349068
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate (CID 171864351) is methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The InChIKey is VNHHHLPUMRZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-16-8-4-7(5-9(6-8)17-2)10(13)11(14)12(15)18-3/h4-6,10-11,13-14H,1-3H3.
What are the key properties of methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate?
methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate has a molecular weight of 256.25 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171864351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).