3-(2-acetylphenoxy)butan-2-one

C12H14O3 — CID 82312052

IUPAC3-(2-acetylphenoxy)butan-2-one
SMILESCC(=O)c1ccccc1OC(C)C(C)=O
InChIInChI=1S/C12H14O3/c1-8(13)10(3)15-12-7-5-4-6-11(12)9(2)14/h4-7,10H,1-3H3
InChIKeyQOYFPKMFSDFCKY-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.25
Rot. Bonds4

About 3-(2-acetylphenoxy)butan-2-one

3-(2-acetylphenoxy)butan-2-one (PubChem CID 82312052) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2-acetylphenoxy)butan-2-one.

Molecular Properties

Compound Name3-(2-acetylphenoxy)butan-2-one
PubChem CID82312052
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(2-acetylphenoxy)butan-2-one
SMILESCC(=O)c1ccccc1OC(C)C(C)=O
InChIInChI=1S/C12H14O3/c1-8(13)10(3)15-12-7-5-4-6-11(12)9(2)14/h4-7,10H,1-3H3
InChIKeyQOYFPKMFSDFCKY-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-(2-acetylphenoxy)propanoate
CID 82312033
propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
butan-2-yl 2-(2-acetylphenoxy)propanoate
CID 82312031
benzyl 2-(2-acetylphenoxy)propanoate
CID 82312028
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
(2-acetylphenyl) methyl carbonate
CID 14493761
1-[2-[fluoro(phenyl)methoxy]phenyl]ethanone
CID 57364040
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117
2-(2-acetylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43083116
1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
CID 129322733
ethyl 2-(2-acetylphenoxy)-3-methylbutanoate
CID 15741885

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylphenoxy)butan-2-one?
The IUPAC name of 3-(2-acetylphenoxy)butan-2-one (CID 82312052) is 3-(2-acetylphenoxy)butan-2-one.
What is the SMILES notation for 3-(2-acetylphenoxy)butan-2-one?
The canonical SMILES for 3-(2-acetylphenoxy)butan-2-one is CC(=O)c1ccccc1OC(C)C(C)=O.
What is the InChIKey of 3-(2-acetylphenoxy)butan-2-one?
The InChIKey is QOYFPKMFSDFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(13)10(3)15-12-7-5-4-6-11(12)9(2)14/h4-7,10H,1-3H3.
What are the key properties of 3-(2-acetylphenoxy)butan-2-one?
3-(2-acetylphenoxy)butan-2-one has a molecular weight of 206.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylphenoxy)butan-2-one is sourced from PubChem (CID 82312052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).