ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate

C14H20O6 — CID 117457712

IUPACethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(COC)c(OC)c(OC)c1
InChIInChI=1S/C14H20O6/c1-5-20-14(16)12(15)9-6-10(8-17-2)13(19-4)11(7-9)18-3/h6-7,12,15H,5,8H2,1-4H3
InChIKeyHOIURMMBVSWIDY-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.45
Rot. Bonds7

About ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate

ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate (PubChem CID 117457712) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
PubChem CID117457712
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(COC)c(OC)c(OC)c1
InChIInChI=1S/C14H20O6/c1-5-20-14(16)12(15)9-6-10(8-17-2)13(19-4)11(7-9)18-3/h6-7,12,15H,5,8H2,1-4H3
InChIKeyHOIURMMBVSWIDY-UHFFFAOYSA-N
XLogP1.45
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457710
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117433339
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
CID 117388855
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate (CID 117457712) is ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cc(COC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate?
The InChIKey is HOIURMMBVSWIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-5-20-14(16)12(15)9-6-10(8-17-2)13(19-4)11(7-9)18-3/h6-7,12,15H,5,8H2,1-4H3.
What are the key properties of ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate has a molecular weight of 284.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117457712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).