2-methylpropyl 2-(2-acetylphenoxy)propanoate

C15H20O4 — CID 82312033

IUPAC2-methylpropyl 2-(2-acetylphenoxy)propanoate
SMILESCC(=O)c1ccccc1OC(C)C(=O)OCC(C)C
InChIInChI=1S/C15H20O4/c1-10(2)9-18-15(17)12(4)19-14-8-6-5-7-13(14)11(3)16/h5-8,10,12H,9H2,1-4H3
InChIKeyBRONGXKUNGIYGA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.86
Rot. Bonds6

About 2-methylpropyl 2-(2-acetylphenoxy)propanoate

2-methylpropyl 2-(2-acetylphenoxy)propanoate (PubChem CID 82312033) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-acetylphenoxy)propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-acetylphenoxy)propanoate
PubChem CID82312033
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-methylpropyl 2-(2-acetylphenoxy)propanoate
SMILESCC(=O)c1ccccc1OC(C)C(=O)OCC(C)C
InChIInChI=1S/C15H20O4/c1-10(2)9-18-15(17)12(4)19-14-8-6-5-7-13(14)11(3)16/h5-8,10,12H,9H2,1-4H3
InChIKeyBRONGXKUNGIYGA-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
benzyl 2-(2-acetylphenoxy)propanoate
CID 82312028
3-(2-acetylphenoxy)butan-2-one
CID 82312052
butan-2-yl 2-(2-acetylphenoxy)propanoate
CID 82312031
ethyl 2-(2-acetylphenoxy)-3-methylbutanoate
CID 15741885
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
CID 129322733
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
CID 82037382
(2-acetylphenyl) methyl carbonate
CID 14493761
1-[2-[fluoro(phenyl)methoxy]phenyl]ethanone
CID 57364040

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-acetylphenoxy)propanoate?
The IUPAC name of 2-methylpropyl 2-(2-acetylphenoxy)propanoate (CID 82312033) is 2-methylpropyl 2-(2-acetylphenoxy)propanoate.
What is the SMILES notation for 2-methylpropyl 2-(2-acetylphenoxy)propanoate?
The canonical SMILES for 2-methylpropyl 2-(2-acetylphenoxy)propanoate is CC(=O)c1ccccc1OC(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(2-acetylphenoxy)propanoate?
The InChIKey is BRONGXKUNGIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10(2)9-18-15(17)12(4)19-14-8-6-5-7-13(14)11(3)16/h5-8,10,12H,9H2,1-4H3.
What are the key properties of 2-methylpropyl 2-(2-acetylphenoxy)propanoate?
2-methylpropyl 2-(2-acetylphenoxy)propanoate 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 2-methylpropyl 2-(2-acetylphenoxy)propanoate is sourced from PubChem (CID 82312033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).