ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate

C17H24O5 — CID 123675340

IUPACethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate
SMILESCCCCOCC(=O)OC(Cc1ccccc1)C(=O)OCC
InChIInChI=1S/C17H24O5/c1-3-5-11-20-13-16(18)22-15(17(19)21-4-2)12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3
InChIKeyLNUUPXGEIUWMOA-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.52
Rot. Bonds10

About ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate

ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate (PubChem CID 123675340) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate
PubChem CID123675340
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Nameethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate
SMILESCCCCOCC(=O)OC(Cc1ccccc1)C(=O)OCC
InChIInChI=1S/C17H24O5/c1-3-5-11-20-13-16(18)22-15(17(19)21-4-2)12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3
InChIKeyLNUUPXGEIUWMOA-UHFFFAOYSA-N
XLogP2.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate
CID 134972816
butyl 3-amino-4-phenylbutanoate
CID 147090513
(2S)-2-octadecanoyloxy-3-phenylpropanoic acid
CID 98548395
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-diaminophosphoryloxy-3-phenylpropanoate
CID 175144269
2-benzyl-3-ethoxy-3-oxopropanoic acid;ethane
CID 91542343
2-butoxyethyl 2-benzyl-3-methylbutanoate
CID 169153476
butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
2-benzyl-3-[(2-butoxyacetyl)amino]propanoic acid
CID 119233668
butyl 3-phenyl-2-sulfanylpropanoate
CID 107018160
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl 3-(2-phenylethyl)heptanoate
CID 102077330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate?
The IUPAC name of ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate (CID 123675340) is ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate is CCCCOCC(=O)OC(Cc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate?
The InChIKey is LNUUPXGEIUWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-3-5-11-20-13-16(18)22-15(17(19)21-4-2)12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3.
What are the key properties of ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate?
ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate has a molecular weight of 308.37 g/mol, XLogP of 2.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate is sourced from PubChem (CID 123675340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).