ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate

C12H15FO4 — CID 117357394

IUPACethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(C)c(F)c1OC
InChIInChI=1S/C12H15FO4/c1-4-17-12(15)10(14)8-6-5-7(2)9(13)11(8)16-3/h5-6,10,14H,4H2,1-3H3
InChIKeyJAXSEPFPIXTUIL-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.74
Rot. Bonds4

About ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate

ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate (PubChem CID 117357394) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
PubChem CID117357394
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(C)c(F)c1OC
InChIInChI=1S/C12H15FO4/c1-4-17-12(15)10(14)8-6-5-7(2)9(13)11(8)16-3/h5-6,10,14H,4H2,1-3H3
InChIKeyJAXSEPFPIXTUIL-UHFFFAOYSA-N
XLogP1.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117492087
ethyl 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117411374
ethyl 2-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117443299
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate
CID 117412360
ethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117447810
ethyl 2-(3-bromo-2-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117492085
ethyl 2-(4-fluoro-2,3-dimethoxy-6-methylphenyl)-2-hydroxyacetate
CID 117433354
ethyl 2-(3-bromo-2-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117487989
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117361967

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate (CID 117357394) is ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(C)c(F)c1OC.
What is the InChIKey of ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate?
The InChIKey is JAXSEPFPIXTUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-4-17-12(15)10(14)8-6-5-7(2)9(13)11(8)16-3/h5-6,10,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate?
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate has a molecular weight of 242.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117357394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).