ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate

C15H17FO5 — CID 103520063

IUPACethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C15H17FO5/c1-3-20-15(19)7-4-11(18)9-21-12-5-6-13(10(2)17)14(16)8-12/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyGEQGNFVTYHQAHM-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.32
Rot. Bonds8

About ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate

ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate (PubChem CID 103520063) has the molecular formula C15H17FO5 and a molecular weight of 296.29 g/mol. Its IUPAC name is ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate
PubChem CID103520063
Molecular FormulaC15H17FO5
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Nameethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C15H17FO5/c1-3-20-15(19)7-4-11(18)9-21-12-5-6-13(10(2)17)14(16)8-12/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyGEQGNFVTYHQAHM-UHFFFAOYSA-N
XLogP2.32
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
CID 107169765
ethyl 5-(3-fluoro-4-nitrophenoxy)-4-oxopentanoate
CID 103484937
ethyl 5-(3-acetylphenoxy)-4-oxopentanoate
CID 103484965
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 103484935
1-[4-[2-(chloromethyl)prop-2-enoxy]-2-fluorophenyl]ethanone
CID 107715578
5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486
(4-acetyl-3-fluorophenoxy)methyl-trifluoroboranuide
CID 107719077
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate?
The IUPAC name of ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate (CID 103520063) is ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate is CCOC(=O)CCC(=O)COc1ccc(C(C)=O)c(F)c1.
What is the InChIKey of ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate?
The InChIKey is GEQGNFVTYHQAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO5/c1-3-20-15(19)7-4-11(18)9-21-12-5-6-13(10(2)17)14(16)8-12/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate?
ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate has a molecular weight of 296.29 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate is sourced from PubChem (CID 103520063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).