methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate

C13H16O6 — CID 171864626

IUPACmethyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate
SMILESCOC(=O)Cc1ccccc1C(O)C(O)C(=O)OC
InChIInChI=1S/C13H16O6/c1-18-10(14)7-8-5-3-4-6-9(8)11(15)12(16)13(17)19-2/h3-6,11-12,15-16H,7H2,1-2H3
InChIKeySVQFCFIVKHFZFQ-UHFFFAOYSA-N
MW268.26 g/mol
LogP-0.03
Rot. Bonds5

About methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate

methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate (PubChem CID 171864626) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate
PubChem CID171864626
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Namemethyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate
SMILESCOC(=O)Cc1ccccc1C(O)C(O)C(=O)OC
InChIInChI=1S/C13H16O6/c1-18-10(14)7-8-5-3-4-6-9(8)11(15)12(16)13(17)19-2/h3-6,11-12,15-16H,7H2,1-2H3
InChIKeySVQFCFIVKHFZFQ-UHFFFAOYSA-N
XLogP-0.03
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R,3S)-3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanoate
CID 150198821
methyl 2-[2-(1,2,4-trihydroxybutyl)phenyl]acetate
CID 171872872
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
methyl 2-[2-(4-acetylsulfanyl-1,2-dihydroxybutyl)phenyl]acetate
CID 171876456
2-[2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenoxy]acetic acid
CID 171864656
methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate
CID 171865066
methyl (2S,3R)-2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 90019008
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate
CID 171864955
ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate
CID 171866052

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate (CID 171864626) is methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate is COC(=O)Cc1ccccc1C(O)C(O)C(=O)OC.
What is the InChIKey of methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate?
The InChIKey is SVQFCFIVKHFZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-18-10(14)7-8-5-3-4-6-9(8)11(15)12(16)13(17)19-2/h3-6,11-12,15-16H,7H2,1-2H3.
What are the key properties of methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate?
methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate has a molecular weight of 268.26 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate is sourced from PubChem (CID 171864626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).