ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate

C13H17FO5 — CID 117433339

IUPACethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(F)c(OC)cc1COC
InChIInChI=1S/C13H17FO5/c1-4-19-13(16)12(15)9-6-10(14)11(18-3)5-8(9)7-17-2/h5-6,12,15H,4,7H2,1-3H3
InChIKeyOXSDNPQWXLNPKK-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.58
Rot. Bonds6

About ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate

ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate (PubChem CID 117433339) has the molecular formula C13H17FO5 and a molecular weight of 272.27 g/mol. Its IUPAC name is ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
PubChem CID117433339
Molecular FormulaC13H17FO5
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Nameethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(F)c(OC)cc1COC
InChIInChI=1S/C13H17FO5/c1-4-19-13(16)12(15)9-6-10(14)11(18-3)5-8(9)7-17-2/h5-6,12,15H,4,7H2,1-3H3
InChIKeyOXSDNPQWXLNPKK-UHFFFAOYSA-N
XLogP1.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457710
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
CID 117388855
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457712
ethyl 2-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352
ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117404297
ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
CID 117108858
ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117461694
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117361967
ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117453752
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate (CID 117433339) is ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cc(F)c(OC)cc1COC.
What is the InChIKey of ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate?
The InChIKey is OXSDNPQWXLNPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO5/c1-4-19-13(16)12(15)9-6-10(14)11(18-3)5-8(9)7-17-2/h5-6,12,15H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate has a molecular weight of 272.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117433339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).