ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate

C15H21FO5 — CID 68617763

IUPACethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1cc(OCC)c(O)cc1F)OCC
InChIInChI=1S/C15H21FO5/c1-4-19-13-7-10(11(16)9-12(13)17)8-14(20-5-2)15(18)21-6-3/h7,9,14,17H,4-6,8H2,1-3H3
InChIKeyFTODMPHQJZFPFI-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.44
Rot. Bonds8

About ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate

ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate (PubChem CID 68617763) has the molecular formula C15H21FO5 and a molecular weight of 300.33 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate
PubChem CID68617763
Molecular FormulaC15H21FO5
Molecular Weight300.33 g/mol
Exact Mass300.14
IUPAC Nameethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1cc(OCC)c(O)cc1F)OCC
InChIInChI=1S/C15H21FO5/c1-4-19-13-7-10(11(16)9-12(13)17)8-14(20-5-2)15(18)21-6-3/h7,9,14,17H,4-6,8H2,1-3H3
InChIKeyFTODMPHQJZFPFI-UHFFFAOYSA-N
XLogP2.44
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3,5-difluoro-4-hydroxyphenyl)-2-ethoxypropanoate
CID 59419836
2-ethoxy-4,5-difluorophenol
CID 131306358
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate
CID 141376208
2-ethoxy-4,5-dimethylphenol
CID 82053903
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
diethyl 2-[(5-chloro-2-fluorophenyl)methyl]propanedioate
CID 15707363
1,2-diethoxy-4-fluoro-5-(2-methylbut-3-ynyl)benzene
CID 83923128

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate (CID 68617763) is ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate is CCOC(=O)C(Cc1cc(OCC)c(O)cc1F)OCC.
What is the InChIKey of ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate?
The InChIKey is FTODMPHQJZFPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO5/c1-4-19-13-7-10(11(16)9-12(13)17)8-14(20-5-2)15(18)21-6-3/h7,9,14,17H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate?
ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate has a molecular weight of 300.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-(5-ethoxy-2-fluoro-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 68617763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).