propyl 2-(2-acetylphenoxy)propanoate

C14H18O4 — CID 82312026

IUPACpropyl 2-(2-acetylphenoxy)propanoate
SMILESCCCOC(=O)C(C)Oc1ccccc1C(C)=O
InChIInChI=1S/C14H18O4/c1-4-9-17-14(16)11(3)18-13-8-6-5-7-12(13)10(2)15/h5-8,11H,4,9H2,1-3H3
InChIKeyIWHOYXZDQXIYKF-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.61
Rot. Bonds6

About propyl 2-(2-acetylphenoxy)propanoate

propyl 2-(2-acetylphenoxy)propanoate (PubChem CID 82312026) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is propyl 2-(2-acetylphenoxy)propanoate.

Molecular Properties

Compound Namepropyl 2-(2-acetylphenoxy)propanoate
PubChem CID82312026
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namepropyl 2-(2-acetylphenoxy)propanoate
SMILESCCCOC(=O)C(C)Oc1ccccc1C(C)=O
InChIInChI=1S/C14H18O4/c1-4-9-17-14(16)11(3)18-13-8-6-5-7-12(13)10(2)15/h5-8,11H,4,9H2,1-3H3
InChIKeyIWHOYXZDQXIYKF-UHFFFAOYSA-N
XLogP2.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-(2-acetylphenoxy)propanoate
CID 82312033
butan-2-yl 2-(2-acetylphenoxy)propanoate
CID 82312031
benzyl 2-(2-acetylphenoxy)propanoate
CID 82312028
3-(2-acetylphenoxy)butan-2-one
CID 82312052
propyl 2-propan-2-yloxybenzoate
CID 82186328
ethyl 2-(2-acetylphenoxy)-3-methylbutanoate
CID 15741885
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
propyl 2-(2-acetylphenoxy)acetate
CID 82312019
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
CID 56931322
1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
CID 129322733
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-acetylphenoxy)propanoate?
The IUPAC name of propyl 2-(2-acetylphenoxy)propanoate (CID 82312026) is propyl 2-(2-acetylphenoxy)propanoate.
What is the SMILES notation for propyl 2-(2-acetylphenoxy)propanoate?
The canonical SMILES for propyl 2-(2-acetylphenoxy)propanoate is CCCOC(=O)C(C)Oc1ccccc1C(C)=O.
What is the InChIKey of propyl 2-(2-acetylphenoxy)propanoate?
The InChIKey is IWHOYXZDQXIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-9-17-14(16)11(3)18-13-8-6-5-7-12(13)10(2)15/h5-8,11H,4,9H2,1-3H3.
What are the key properties of propyl 2-(2-acetylphenoxy)propanoate?
propyl 2-(2-acetylphenoxy)propanoate has a molecular weight of 250.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-acetylphenoxy)propanoate is sourced from PubChem (CID 82312026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).