butyl 3-(2-ethoxyphenyl)propanoate

C15H22O3 — CID 113221188

IUPACbutyl 3-(2-ethoxyphenyl)propanoate
SMILESCCCCOC(=O)CCc1ccccc1OCC
InChIInChI=1S/C15H22O3/c1-3-5-12-18-15(16)11-10-13-8-6-7-9-14(13)17-4-2/h6-9H,3-5,10-12H2,1-2H3
InChIKeyVTKFXFSDRALSLU-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.36
Rot. Bonds8

About butyl 3-(2-ethoxyphenyl)propanoate

butyl 3-(2-ethoxyphenyl)propanoate (PubChem CID 113221188) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is butyl 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Namebutyl 3-(2-ethoxyphenyl)propanoate
PubChem CID113221188
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namebutyl 3-(2-ethoxyphenyl)propanoate
SMILESCCCCOC(=O)CCc1ccccc1OCC
InChIInChI=1S/C15H22O3/c1-3-5-12-18-15(16)11-10-13-8-6-7-9-14(13)17-4-2/h6-9H,3-5,10-12H2,1-2H3
InChIKeyVTKFXFSDRALSLU-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782
butyl 2-(2-ethoxyphenoxy)acetate
CID 54941442
1-O-butyl 5-O-(2-propylphenyl) pentanedioate
CID 91708640
butyl 3-[2-(methoxymethyl)phenyl]propanoate
CID 101190303
(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524606
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
CID 3023197
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
10-O-(2-propylphenyl) 1-O-undecyl decanedioate
CID 91715656

Frequently Asked Questions

What is the IUPAC name of butyl 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of butyl 3-(2-ethoxyphenyl)propanoate (CID 113221188) is butyl 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for butyl 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for butyl 3-(2-ethoxyphenyl)propanoate is CCCCOC(=O)CCc1ccccc1OCC.
What is the InChIKey of butyl 3-(2-ethoxyphenyl)propanoate?
The InChIKey is VTKFXFSDRALSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-5-12-18-15(16)11-10-13-8-6-7-9-14(13)17-4-2/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of butyl 3-(2-ethoxyphenyl)propanoate?
butyl 3-(2-ethoxyphenyl)propanoate has a molecular weight of 250.34 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 113221188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).