ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate

C12H15FO4 — CID 117357409

IUPACethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(COC)c(F)c1
InChIInChI=1S/C12H15FO4/c1-3-17-12(15)11(14)8-4-5-9(7-16-2)10(13)6-8/h4-6,11,14H,3,7H2,1-2H3
InChIKeyABENHCQSDWPUHS-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.57
Rot. Bonds5

About ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate

ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate (PubChem CID 117357409) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
PubChem CID117357409
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(COC)c(F)c1
InChIInChI=1S/C12H15FO4/c1-3-17-12(15)11(14)8-4-5-9(7-16-2)10(13)6-8/h4-6,11,14H,3,7H2,1-2H3
InChIKeyABENHCQSDWPUHS-UHFFFAOYSA-N
XLogP1.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117404297
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117433339
ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate
CID 117471883
methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate
CID 117354900
methyl 2-[3-bromo-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117466740
ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457712
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate (CID 117357409) is ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(COC)c(F)c1.
What is the InChIKey of ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate?
The InChIKey is ABENHCQSDWPUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-3-17-12(15)11(14)8-4-5-9(7-16-2)10(13)6-8/h4-6,11,14H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate has a molecular weight of 242.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117357409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).