methyl 2-(2-acetylphenyl)-2-methylpropanoate

C13H16O3 — CID 10608941

IUPACmethyl 2-(2-acetylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccccc1C(C)=O
InChIInChI=1S/C13H16O3/c1-9(14)10-7-5-6-8-11(10)13(2,3)12(15)16-4/h5-8H,1-4H3
InChIKeyYJHJVHIAWHPXEI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.34
Rot. Bonds3

About methyl 2-(2-acetylphenyl)-2-methylpropanoate

methyl 2-(2-acetylphenyl)-2-methylpropanoate (PubChem CID 10608941) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(2-acetylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-acetylphenyl)-2-methylpropanoate
PubChem CID10608941
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-(2-acetylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccccc1C(C)=O
InChIInChI=1S/C13H16O3/c1-9(14)10-7-5-6-8-11(10)13(2,3)12(15)16-4/h5-8H,1-4H3
InChIKeyYJHJVHIAWHPXEI-UHFFFAOYSA-N
XLogP2.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-acetylphenyl)-3-methylbutan-2-one
CID 90248723
methyl 2-(2-methyl-3-oxobutan-2-yl)benzoate
CID 10751401
methyl 2-[2-(5-acetylthiophen-2-yl)phenyl]-2-methylpropanoate
CID 135337035
methyl 2-(trifluoromethyl)benzoate
CID 2775578
2-(2-methoxypropan-2-yl)benzoic acid
CID 117111487
1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
CID 160581245
1-(2-acetylphenyl)ethanone;methane
CID 158210616
N-[2-(2-acetylphenyl)propan-2-yl]prop-2-enamide;hydrochloride
CID 174385229
1-[2-(1-methoxyethenyl)phenyl]ethanone
CID 121440840
methyl 2,2-difluoropropanoate;triphenylsulfanium
CID 161483852
methyl 2-(1,1,2,2,2-pentafluoroethyl)benzoate
CID 14007750
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetylphenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-acetylphenyl)-2-methylpropanoate (CID 10608941) is methyl 2-(2-acetylphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-acetylphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-acetylphenyl)-2-methylpropanoate is COC(=O)C(C)(C)c1ccccc1C(C)=O.
What is the InChIKey of methyl 2-(2-acetylphenyl)-2-methylpropanoate?
The InChIKey is YJHJVHIAWHPXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(14)10-7-5-6-8-11(10)13(2,3)12(15)16-4/h5-8H,1-4H3.
What are the key properties of methyl 2-(2-acetylphenyl)-2-methylpropanoate?
methyl 2-(2-acetylphenyl)-2-methylpropanoate has a molecular weight of 220.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetylphenyl)-2-methylpropanoate is sourced from PubChem (CID 10608941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).