methyl 2-(3-acetylphenoxy)propanoate

C12H14O4 — CID 60643105

IUPACmethyl 2-(3-acetylphenoxy)propanoate
SMILESCOC(=O)C(C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C12H14O4/c1-8(13)10-5-4-6-11(7-10)16-9(2)12(14)15-3/h4-7,9H,1-3H3
InChIKeyOZOSOMAGYUGOQK-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.83
Rot. Bonds4

About methyl 2-(3-acetylphenoxy)propanoate

methyl 2-(3-acetylphenoxy)propanoate (PubChem CID 60643105) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(3-acetylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-acetylphenoxy)propanoate
PubChem CID60643105
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-(3-acetylphenoxy)propanoate
SMILESCOC(=O)C(C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C12H14O4/c1-8(13)10-5-4-6-11(7-10)16-9(2)12(14)15-3/h4-7,9H,1-3H3
InChIKeyOZOSOMAGYUGOQK-UHFFFAOYSA-N
XLogP1.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60626516
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925
methyl (2S)-2-[3-(bromomethyl)phenoxy]propanoate
CID 86674593
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide
CID 95040633
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
CID 119581712
1-(3-hydroperoxyphenyl)ethanone
CID 21289599
1-(3-pent-3-yn-2-yloxyphenyl)ethanone
CID 118412024

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetylphenoxy)propanoate?
The IUPAC name of methyl 2-(3-acetylphenoxy)propanoate (CID 60643105) is methyl 2-(3-acetylphenoxy)propanoate.
What is the SMILES notation for methyl 2-(3-acetylphenoxy)propanoate?
The canonical SMILES for methyl 2-(3-acetylphenoxy)propanoate is COC(=O)C(C)Oc1cccc(C(C)=O)c1.
What is the InChIKey of methyl 2-(3-acetylphenoxy)propanoate?
The InChIKey is OZOSOMAGYUGOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8(13)10-5-4-6-11(7-10)16-9(2)12(14)15-3/h4-7,9H,1-3H3.
What are the key properties of methyl 2-(3-acetylphenoxy)propanoate?
methyl 2-(3-acetylphenoxy)propanoate has a molecular weight of 222.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetylphenoxy)propanoate is sourced from PubChem (CID 60643105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).