propyl 2-(2-acetylphenoxy)acetate

C13H16O4 — CID 82312019

IUPACpropyl 2-(2-acetylphenoxy)acetate
SMILESCCCOC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C13H16O4/c1-3-8-16-13(15)9-17-12-7-5-4-6-11(12)10(2)14/h4-7H,3,8-9H2,1-2H3
InChIKeyHWTNEEAVKPKGKC-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.22
Rot. Bonds6

About propyl 2-(2-acetylphenoxy)acetate

propyl 2-(2-acetylphenoxy)acetate (PubChem CID 82312019) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is propyl 2-(2-acetylphenoxy)acetate.

Molecular Properties

Compound Namepropyl 2-(2-acetylphenoxy)acetate
PubChem CID82312019
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namepropyl 2-(2-acetylphenoxy)acetate
SMILESCCCOC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C13H16O4/c1-3-8-16-13(15)9-17-12-7-5-4-6-11(12)10(2)14/h4-7H,3,8-9H2,1-2H3
InChIKeyHWTNEEAVKPKGKC-UHFFFAOYSA-N
XLogP2.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
butyl 2-[2-(2-acetylphenoxy)-2-oxoethoxy]acetate
CID 91710355
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
2-(2-acetylphenoxy)-N,N-dipropylacetamide
CID 82312013
propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
heptyl 2-[2-(2-acetylphenoxy)-2-oxoethoxy]acetate
CID 91710430
tridecyl 2-[2-(2-acetylphenoxy)-2-oxoethoxy]acetate
CID 91710435
butyl 2-(2-ethoxyphenoxy)acetate
CID 54941442
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
(2-acetylphenyl) 2-(2-methylphenoxy)acetate
CID 15211367
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-acetylphenoxy)acetate?
The IUPAC name of propyl 2-(2-acetylphenoxy)acetate (CID 82312019) is propyl 2-(2-acetylphenoxy)acetate.
What is the SMILES notation for propyl 2-(2-acetylphenoxy)acetate?
The canonical SMILES for propyl 2-(2-acetylphenoxy)acetate is CCCOC(=O)COc1ccccc1C(C)=O.
What is the InChIKey of propyl 2-(2-acetylphenoxy)acetate?
The InChIKey is HWTNEEAVKPKGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-8-16-13(15)9-17-12-7-5-4-6-11(12)10(2)14/h4-7H,3,8-9H2,1-2H3.
What are the key properties of propyl 2-(2-acetylphenoxy)acetate?
propyl 2-(2-acetylphenoxy)acetate has a molecular weight of 236.27 g/mol, XLogP of 2.22, 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)acetate is sourced from PubChem (CID 82312019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).