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

C14H20O6 — CID 117457710

IUPACethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(COC)c(OC)cc1OC
InChIInChI=1S/C14H20O6/c1-5-20-14(16)13(15)10-6-9(8-17-2)11(18-3)7-12(10)19-4/h6-7,13,15H,5,8H2,1-4H3
InChIKeyZWSKSLPAJVJXBC-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.45
Rot. Bonds7

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

ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate (PubChem CID 117457710) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
PubChem CID117457710
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(COC)c(OC)cc1OC
InChIInChI=1S/C14H20O6/c1-5-20-14(16)13(15)10-6-9(8-17-2)11(18-3)7-12(10)19-4/h6-7,13,15H,5,8H2,1-4H3
InChIKeyZWSKSLPAJVJXBC-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-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352
ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117453752
ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117433339
ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117461694
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
CID 117388855
ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457712
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
3-amino-2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117426345
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
1-O-[[4-[(2-bromo-3-ethoxy-3-oxopropanoyl)oxymethyl]-2,5-dimethoxyphenyl]methyl] 3-O-ethyl 2-bromopropanedioate
CID 101230772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate (CID 117457710) is ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cc(COC)c(OC)cc1OC.
What is the InChIKey of ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate?
The InChIKey is ZWSKSLPAJVJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-5-20-14(16)13(15)10-6-9(8-17-2)11(18-3)7-12(10)19-4/h6-7,13,15H,5,8H2,1-4H3.
What are the key properties of ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[2,4-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-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117457710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).