ethyl 5-(3-acetylphenoxy)-4-oxopentanoate

C15H18O5 — CID 103484965

IUPACethyl 5-(3-acetylphenoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COc1cccc(C(C)=O)c1
InChIInChI=1S/C15H18O5/c1-3-19-15(18)8-7-13(17)10-20-14-6-4-5-12(9-14)11(2)16/h4-6,9H,3,7-8,10H2,1-2H3
InChIKeyNVWBGPGSFIKPTH-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.18
Rot. Bonds8

About ethyl 5-(3-acetylphenoxy)-4-oxopentanoate

ethyl 5-(3-acetylphenoxy)-4-oxopentanoate (PubChem CID 103484965) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is ethyl 5-(3-acetylphenoxy)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(3-acetylphenoxy)-4-oxopentanoate
PubChem CID103484965
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Nameethyl 5-(3-acetylphenoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COc1cccc(C(C)=O)c1
InChIInChI=1S/C15H18O5/c1-3-19-15(18)8-7-13(17)10-20-14-6-4-5-12(9-14)11(2)16/h4-6,9H,3,7-8,10H2,1-2H3
InChIKeyNVWBGPGSFIKPTH-UHFFFAOYSA-N
XLogP2.18
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate
CID 103520063
acetyl 3-(2-ethoxy-2-oxoethoxy)benzoate
CID 169229765
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
CID 107169765
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
ethyl 4-[3-(methoxymethoxy)phenyl]-4-oxobutanoate
CID 175964150
ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 103484935
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
(4-ethylphenyl) 2-(3-acetylphenoxy)acetate
CID 78769344
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-acetylphenoxy)-4-oxopentanoate?
The IUPAC name of ethyl 5-(3-acetylphenoxy)-4-oxopentanoate (CID 103484965) is ethyl 5-(3-acetylphenoxy)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(3-acetylphenoxy)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(3-acetylphenoxy)-4-oxopentanoate is CCOC(=O)CCC(=O)COc1cccc(C(C)=O)c1.
What is the InChIKey of ethyl 5-(3-acetylphenoxy)-4-oxopentanoate?
The InChIKey is NVWBGPGSFIKPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-3-19-15(18)8-7-13(17)10-20-14-6-4-5-12(9-14)11(2)16/h4-6,9H,3,7-8,10H2,1-2H3.
What are the key properties of ethyl 5-(3-acetylphenoxy)-4-oxopentanoate?
ethyl 5-(3-acetylphenoxy)-4-oxopentanoate has a molecular weight of 278.30 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-acetylphenoxy)-4-oxopentanoate is sourced from PubChem (CID 103484965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).