tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate

C14H20O4 — CID 58944391

IUPACtert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate
SMILESCCc1cc(O)cc(OCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20O4/c1-5-10-6-11(15)8-12(7-10)17-9-13(16)18-14(2,3)4/h6-8,15H,5,9H2,1-4H3
InChIKeyBZASQHMWWNHFPY-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate

tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate (PubChem CID 58944391) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate
PubChem CID58944391
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nametert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate
SMILESCCc1cc(O)cc(OCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20O4/c1-5-10-6-11(15)8-12(7-10)17-9-13(16)18-14(2,3)4/h6-8,15H,5,9H2,1-4H3
InChIKeyBZASQHMWWNHFPY-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate
CID 70843236
tert-butyl 2-[3-(hydroxymethyl)-5-methylphenoxy]acetate
CID 70899434
tert-butyl 2-(4-ethyl-2-iodophenoxy)acetate
CID 86005684
3-(3-chloropropoxy)-5-ethylphenol
CID 142783506
methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate
CID 165005191
tert-butyl 2-[4-[1,1-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetate
CID 23023013
tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate
CID 170636951
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
tert-butyl 2-[3-(2-cyanoethyl)phenoxy]acetate
CID 91047501
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 146550205
tert-butyl 2-[4-(4,4,4-trifluoro-3-oxobutyl)phenoxy]acetate
CID 57301381

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate?
The IUPAC name of tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate (CID 58944391) is tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate.
What is the SMILES notation for tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate?
The canonical SMILES for tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate is CCc1cc(O)cc(OCC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate?
The InChIKey is BZASQHMWWNHFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-10-6-11(15)8-12(7-10)17-9-13(16)18-14(2,3)4/h6-8,15H,5,9H2,1-4H3.
What are the key properties of tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate?
tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate has a molecular weight of 252.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate is sourced from PubChem (CID 58944391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).