methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate

C11H14O6 — CID 117357190

IUPACmethyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
SMILESCOC(=O)C(O)c1cc(O)c(OC)c(OC)c1
InChIInChI=1S/C11H14O6/c1-15-8-5-6(9(13)11(14)17-3)4-7(12)10(8)16-2/h4-5,9,12-13H,1-3H3
InChIKeySFFOWSCKTJMWIQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.62
Rot. Bonds4

About methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate

methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate (PubChem CID 117357190) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
PubChem CID117357190
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namemethyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
SMILESCOC(=O)C(O)c1cc(O)c(OC)c(OC)c1
InChIInChI=1S/C11H14O6/c1-15-8-5-6(9(13)11(14)17-3)4-7(12)10(8)16-2/h4-5,9,12-13H,1-3H3
InChIKeySFFOWSCKTJMWIQ-UHFFFAOYSA-N
XLogP0.62
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3,4-dihydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117302652
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693
methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374793
methyl 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374794
5-[(2S)-butan-2-yl]-2,3-dimethoxyphenol
CID 163966789
[2-methoxy-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
CID 23378435
5-butan-2-yl-2,3-dimethoxyphenol
CID 22974622
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl 2-(3-fluoro-4-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117328416
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate (CID 117357190) is methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate is COC(=O)C(O)c1cc(O)c(OC)c(OC)c1.
What is the InChIKey of methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate?
The InChIKey is SFFOWSCKTJMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-15-8-5-6(9(13)11(14)17-3)4-7(12)10(8)16-2/h4-5,9,12-13H,1-3H3.
What are the key properties of methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate?
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate has a molecular weight of 242.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 117357190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).