propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate

C15H20O5 — CID 14856730

IUPACpropyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
SMILESCCCOC(=O)Cc1ccc(OCC(=O)OCC)cc1
InChIInChI=1S/C15H20O5/c1-3-9-19-14(16)10-12-5-7-13(8-6-12)20-11-15(17)18-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyBQMBLZOJEIJLIE-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds8

About propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate

propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate (PubChem CID 14856730) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate.

Molecular Properties

Compound Namepropyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
PubChem CID14856730
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namepropyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
SMILESCCCOC(=O)Cc1ccc(OCC(=O)OCC)cc1
InChIInChI=1S/C15H20O5/c1-3-9-19-14(16)10-12-5-7-13(8-6-12)20-11-15(17)18-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyBQMBLZOJEIJLIE-UHFFFAOYSA-N
XLogP2.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-(4-ethylphenoxy)acetate
CID 78907907
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938
ethyl 2-[4-(5-aminopentoxy)phenyl]acetate
CID 162639944
propyl 2-(4-formylphenoxy)acetate
CID 17245126
ethyl 2-[4-(2-oxopropyl)phenoxy]acetate;1-(4-hydroxyphenyl)propan-2-one
CID 159239031
propyl 2-(4-ethenylphenoxy)acetate
CID 23504150
propyl 2-[4-[4-(2-oxo-2-propoxyethoxy)phenyl]sulfonylphenoxy]acetate
CID 4149665
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
propyl 2-(4-tributylstannylphenoxy)acetate
CID 22503207

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate?
The IUPAC name of propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate (CID 14856730) is propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate.
What is the SMILES notation for propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate?
The canonical SMILES for propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate is CCCOC(=O)Cc1ccc(OCC(=O)OCC)cc1.
What is the InChIKey of propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate?
The InChIKey is BQMBLZOJEIJLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-3-9-19-14(16)10-12-5-7-13(8-6-12)20-11-15(17)18-4-2/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate?
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate has a molecular weight of 280.32 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate is sourced from PubChem (CID 14856730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).