ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate

C16H24O3 — CID 82553794

IUPACethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(C(C)(C)C)ccc1OCC
InChIInChI=1S/C16H24O3/c1-6-18-14-9-8-13(16(3,4)5)10-12(14)11-15(17)19-7-2/h8-10H,6-7,11H2,1-5H3
InChIKeyPOJHRDOFEHTGMD-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.49
Rot. Bonds5

About ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate

ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate (PubChem CID 82553794) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
PubChem CID82553794
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nameethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(C(C)(C)C)ccc1OCC
InChIInChI=1S/C16H24O3/c1-6-18-14-9-8-13(16(3,4)5)10-12(14)11-15(17)19-7-2/h8-10H,6-7,11H2,1-5H3
InChIKeyPOJHRDOFEHTGMD-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
ethyl 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-2-(2-ethoxy-2-oxoethoxy)-3-ethylphenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]phenoxy]acetate
CID 88557090
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate
CID 175409961
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
1-bromo-3-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616279
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
CID 82053491
ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
CID 170998065

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate?
The IUPAC name of ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate (CID 82553794) is ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate is CCOC(=O)Cc1cc(C(C)(C)C)ccc1OCC.
What is the InChIKey of ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate?
The InChIKey is POJHRDOFEHTGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-6-18-14-9-8-13(16(3,4)5)10-12(14)11-15(17)19-7-2/h8-10H,6-7,11H2,1-5H3.
What are the key properties of ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate?
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate has a molecular weight of 264.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate is sourced from PubChem (CID 82553794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).