ethyl 2-(2-acetylphenoxy)-3-methylbutanoate

C15H20O4 — CID 15741885

IUPACethyl 2-(2-acetylphenoxy)-3-methylbutanoate
SMILESCCOC(=O)C(Oc1ccccc1C(C)=O)C(C)C
InChIInChI=1S/C15H20O4/c1-5-18-15(17)14(10(2)3)19-13-9-7-6-8-12(13)11(4)16/h6-10,14H,5H2,1-4H3
InChIKeyIDVHHSWETXVEDC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.86
Rot. Bonds6

About ethyl 2-(2-acetylphenoxy)-3-methylbutanoate

ethyl 2-(2-acetylphenoxy)-3-methylbutanoate (PubChem CID 15741885) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(2-acetylphenoxy)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-acetylphenoxy)-3-methylbutanoate
PubChem CID15741885
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-(2-acetylphenoxy)-3-methylbutanoate
SMILESCCOC(=O)C(Oc1ccccc1C(C)=O)C(C)C
InChIInChI=1S/C15H20O4/c1-5-18-15(17)14(10(2)3)19-13-9-7-6-8-12(13)11(4)16/h6-10,14H,5H2,1-4H3
InChIKeyIDVHHSWETXVEDC-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
3-(2-acetylphenoxy)butan-2-one
CID 82312052
butan-2-yl 2-(2-acetylphenoxy)propanoate
CID 82312031
2-methylpropyl 2-(2-acetylphenoxy)propanoate
CID 82312033
2-(2-carbamoylphenoxy)-3-methylbutanoic acid
CID 18073009
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
CID 129322733
propyl 2-propan-2-yloxybenzoate
CID 82186328
benzyl 2-(2-acetylphenoxy)propanoate
CID 82312028
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
ethyl 2-(2-acetylanilino)propanoate
CID 67790607
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetylphenoxy)-3-methylbutanoate?
The IUPAC name of ethyl 2-(2-acetylphenoxy)-3-methylbutanoate (CID 15741885) is ethyl 2-(2-acetylphenoxy)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(2-acetylphenoxy)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(2-acetylphenoxy)-3-methylbutanoate is CCOC(=O)C(Oc1ccccc1C(C)=O)C(C)C.
What is the InChIKey of ethyl 2-(2-acetylphenoxy)-3-methylbutanoate?
The InChIKey is IDVHHSWETXVEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-18-15(17)14(10(2)3)19-13-9-7-6-8-12(13)11(4)16/h6-10,14H,5H2,1-4H3.
What are the key properties of ethyl 2-(2-acetylphenoxy)-3-methylbutanoate?
ethyl 2-(2-acetylphenoxy)-3-methylbutanoate has a molecular weight of 264.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetylphenoxy)-3-methylbutanoate is sourced from PubChem (CID 15741885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).