2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate

C16H24O4 — CID 78832274

IUPAC2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
SMILESCCOCCOC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C16H24O4/c1-5-18-10-11-19-15(17)12-20-14-9-7-6-8-13(14)16(2,3)4/h6-9H,5,10-12H2,1-4H3
InChIKeyLBWAMYQHWXQXAH-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.94
Rot. Bonds7

About 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate

2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate (PubChem CID 78832274) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
PubChem CID78832274
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
SMILESCCOCCOC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C16H24O4/c1-5-18-10-11-19-15(17)12-20-14-9-7-6-8-13(14)16(2,3)4/h6-9H,5,10-12H2,1-4H3
InChIKeyLBWAMYQHWXQXAH-UHFFFAOYSA-N
XLogP2.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.94
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

N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17050964
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701384
2-(2-tert-butylphenoxy)acetamide
CID 17051379
acetyl 2-(2-tert-butylphenoxy)acetate
CID 87336572
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
CID 166194032
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate (CID 78832274) is 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate is CCOCCOC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate?
The InChIKey is LBWAMYQHWXQXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-18-10-11-19-15(17)12-20-14-9-7-6-8-13(14)16(2,3)4/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate?
2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate has a molecular weight of 280.36 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 78832274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).