ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate

C14H17FO4 — CID 107169765

IUPACethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COc1ccc(C)c(F)c1
InChIInChI=1S/C14H17FO4/c1-3-18-14(17)7-5-11(16)9-19-12-6-4-10(2)13(15)8-12/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyFLWFDAAHELYREP-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.43
Rot. Bonds7

About ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate

ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate (PubChem CID 107169765) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
PubChem CID107169765
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Nameethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COc1ccc(C)c(F)c1
InChIInChI=1S/C14H17FO4/c1-3-18-14(17)7-5-11(16)9-19-12-6-4-10(2)13(15)8-12/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyFLWFDAAHELYREP-UHFFFAOYSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate
CID 103520063
ethyl 5-(3-fluoro-4-nitrophenoxy)-4-oxopentanoate
CID 103484937
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 2-[(3-fluoro-4-methylphenoxy)methyl]prop-2-enoate
CID 107168373
ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 103484935
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
ethyl 5-(3-acetylphenoxy)-4-oxopentanoate
CID 103484965
6-(3-fluoro-4-methylphenoxy)hexan-3-one
CID 107169821
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 107171511

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate?
The IUPAC name of ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate (CID 107169765) is ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate is CCOC(=O)CCC(=O)COc1ccc(C)c(F)c1.
What is the InChIKey of ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate?
The InChIKey is FLWFDAAHELYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-3-18-14(17)7-5-11(16)9-19-12-6-4-10(2)13(15)8-12/h4,6,8H,3,5,7,9H2,1-2H3.
What are the key properties of ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate?
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate has a molecular weight of 268.28 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate is sourced from PubChem (CID 107169765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).