methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate

C13H18O6 — CID 117428827

IUPACmethyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCOCc1c(OC)ccc(OC)c1C(O)C(=O)OC
InChIInChI=1S/C13H18O6/c1-16-7-8-9(17-2)5-6-10(18-3)11(8)12(14)13(15)19-4/h5-6,12,14H,7H2,1-4H3
InChIKeyCONDPLVSKDLSJO-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.06
Rot. Bonds6

About methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate

methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate (PubChem CID 117428827) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
PubChem CID117428827
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namemethyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCOCc1c(OC)ccc(OC)c1C(O)C(=O)OC
InChIInChI=1S/C13H18O6/c1-16-7-8-9(17-2)5-6-10(18-3)11(8)12(14)13(15)19-4/h5-6,12,14H,7H2,1-4H3
InChIKeyCONDPLVSKDLSJO-UHFFFAOYSA-N
XLogP1.06
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117388905
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
4-amino-4-[3,6-dimethoxy-2-(methoxymethyl)phenyl]butanoic acid
CID 117455404
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate (CID 117428827) is methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate is COCc1c(OC)ccc(OC)c1C(O)C(=O)OC.
What is the InChIKey of methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate?
The InChIKey is CONDPLVSKDLSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-16-7-8-9(17-2)5-6-10(18-3)11(8)12(14)13(15)19-4/h5-6,12,14H,7H2,1-4H3.
What are the key properties of methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate?
methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate has a molecular weight of 270.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117428827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).