ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate

C12H15FO4 — CID 112613216

IUPACethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1c(F)cccc1CO
InChIInChI=1S/C12H15FO4/c1-3-16-12(15)8(2)17-11-9(7-14)5-4-6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyBURNEXUTWVTXFY-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.65
Rot. Bonds5

About ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate

ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate (PubChem CID 112613216) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
PubChem CID112613216
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1c(F)cccc1CO
InChIInChI=1S/C12H15FO4/c1-3-16-12(15)8(2)17-11-9(7-14)5-4-6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyBURNEXUTWVTXFY-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
CID 125497853
2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide
CID 112613193
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
CID 125497694
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate?
The IUPAC name of ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate (CID 112613216) is ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate?
The canonical SMILES for ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate is CCOC(=O)C(C)Oc1c(F)cccc1CO.
What is the InChIKey of ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate?
The InChIKey is BURNEXUTWVTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-3-16-12(15)8(2)17-11-9(7-14)5-4-6-10(11)13/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate?
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate has a molecular weight of 242.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate is sourced from PubChem (CID 112613216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).