butyl 2-(2-ethoxyphenoxy)acetate

C14H20O4 — CID 54941442

IUPACbutyl 2-(2-ethoxyphenoxy)acetate
SMILESCCCCOC(=O)COc1ccccc1OCC
InChIInChI=1S/C14H20O4/c1-3-5-10-17-14(15)11-18-13-9-7-6-8-12(13)16-4-2/h6-9H,3-5,10-11H2,1-2H3
InChIKeyXKGPAEOUVSXOOF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.81
Rot. Bonds8

About butyl 2-(2-ethoxyphenoxy)acetate

butyl 2-(2-ethoxyphenoxy)acetate (PubChem CID 54941442) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is butyl 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Namebutyl 2-(2-ethoxyphenoxy)acetate
PubChem CID54941442
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namebutyl 2-(2-ethoxyphenoxy)acetate
SMILESCCCCOC(=O)COc1ccccc1OCC
InChIInChI=1S/C14H20O4/c1-3-5-10-17-14(15)11-18-13-9-7-6-8-12(13)16-4-2/h6-9H,3-5,10-11H2,1-2H3
InChIKeyXKGPAEOUVSXOOF-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
butyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931640
butyl 2-[2-[methoxy(dimethyl)silyl]phenoxy]acetate
CID 14388345
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
CID 60730584
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
propyl 2-(2-acetylphenoxy)acetate
CID 82312019
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
CID 19179036

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of butyl 2-(2-ethoxyphenoxy)acetate (CID 54941442) is butyl 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for butyl 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for butyl 2-(2-ethoxyphenoxy)acetate is CCCCOC(=O)COc1ccccc1OCC.
What is the InChIKey of butyl 2-(2-ethoxyphenoxy)acetate?
The InChIKey is XKGPAEOUVSXOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-5-10-17-14(15)11-18-13-9-7-6-8-12(13)16-4-2/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of butyl 2-(2-ethoxyphenoxy)acetate?
butyl 2-(2-ethoxyphenoxy)acetate has a molecular weight of 252.31 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 54941442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).