2-(2-ethoxyphenyl)ethyl propanoate

C13H18O3 — CID 174910782

IUPAC2-(2-ethoxyphenyl)ethyl propanoate
SMILESCCOc1ccccc1CCOC(=O)CC
InChIInChI=1S/C13H18O3/c1-3-13(14)16-10-9-11-7-5-6-8-12(11)15-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyGDBZEOWUTKSAFT-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-ethoxyphenyl)ethyl propanoate

2-(2-ethoxyphenyl)ethyl propanoate (PubChem CID 174910782) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)ethyl propanoate.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)ethyl propanoate
PubChem CID174910782
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(2-ethoxyphenyl)ethyl propanoate
SMILESCCOc1ccccc1CCOC(=O)CC
InChIInChI=1S/C13H18O3/c1-3-13(14)16-10-9-11-7-5-6-8-12(11)15-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyGDBZEOWUTKSAFT-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
2-[2-(bromomethyl)phenyl]ethyl propanoate
CID 174385398
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524606
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)ethyl propanoate?
The IUPAC name of 2-(2-ethoxyphenyl)ethyl propanoate (CID 174910782) is 2-(2-ethoxyphenyl)ethyl propanoate.
What is the SMILES notation for 2-(2-ethoxyphenyl)ethyl propanoate?
The canonical SMILES for 2-(2-ethoxyphenyl)ethyl propanoate is CCOc1ccccc1CCOC(=O)CC.
What is the InChIKey of 2-(2-ethoxyphenyl)ethyl propanoate?
The InChIKey is GDBZEOWUTKSAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-13(14)16-10-9-11-7-5-6-8-12(11)15-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)ethyl propanoate?
2-(2-ethoxyphenyl)ethyl propanoate has a molecular weight of 222.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)ethyl propanoate is sourced from PubChem (CID 174910782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).