methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate

C11H14O6 — CID 171865261

IUPACmethyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(O)c(C)c1O
InChIInChI=1S/C11H14O6/c1-5-7(12)4-3-6(8(5)13)9(14)10(15)11(16)17-2/h3-4,9-10,12-15H,1-2H3
InChIKeyMFRMAODQLDRCHA-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.03
Rot. Bonds3

About methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate

methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate (PubChem CID 171865261) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate
PubChem CID171865261
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namemethyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(O)c(C)c1O
InChIInChI=1S/C11H14O6/c1-5-7(12)4-3-6(8(5)13)9(14)10(15)11(16)17-2/h3-4,9-10,12-15H,1-2H3
InChIKeyMFRMAODQLDRCHA-UHFFFAOYSA-N
XLogP-0.03
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863620
methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863662
methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
CID 171863485
methyl 3-(5-amino-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863792
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
CID 117300134
methyl 3-(2-chloro-5-methylphenyl)-2,3-dihydroxypropanoate
CID 171863608
methyl 2,3-dihydroxy-3-(4-hydroxy-2-nitrophenyl)propanoate
CID 171864555
methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863884
methyl 2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methylphenyl]propanoate
CID 171864006
methyl 3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863832
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate (CID 171865261) is methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccc(O)c(C)c1O.
What is the InChIKey of methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate?
The InChIKey is MFRMAODQLDRCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-5-7(12)4-3-6(8(5)13)9(14)10(15)11(16)17-2/h3-4,9-10,12-15H,1-2H3.
What are the key properties of methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate?
methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate has a molecular weight of 242.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).