methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate

C11H14O5 — CID 121224875

IUPACmethoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
SMILESCOCOC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C11H14O5/c1-14-7-16-11(13)6-8-3-4-9(12)10(5-8)15-2/h3-5,12H,6-7H2,1-2H3
InChIKeyMLUBJELIAFJJQV-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.09
Rot. Bonds5

About methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate

methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate (PubChem CID 121224875) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
PubChem CID121224875
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
SMILESCOCOC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C11H14O5/c1-14-7-16-11(13)6-8-3-4-9(12)10(5-8)15-2/h3-5,12H,6-7H2,1-2H3
InChIKeyMLUBJELIAFJJQV-UHFFFAOYSA-N
XLogP1.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231770
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-[4-[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxy-3-methoxyphenyl]acetic acid
CID 54022503
[(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 167362080
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone
CID 42605359
[(3S)-3,7-dimethyloct-6-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231777
[4-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl] 2-(4-hydroxy-3-methoxyphenyl)butanoate
CID 67633588
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
CID 11321502

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate?
The IUPAC name of methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate (CID 121224875) is methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate.
What is the SMILES notation for methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate?
The canonical SMILES for methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate is COCOC(=O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate?
The InChIKey is MLUBJELIAFJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-14-7-16-11(13)6-8-3-4-9(12)10(5-8)15-2/h3-5,12H,6-7H2,1-2H3.
What are the key properties of methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate?
methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate has a molecular weight of 226.23 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate is sourced from PubChem (CID 121224875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).