tert-butyl 2-(4-ethenylphenoxy)acetate

C14H18O3 — CID 18762166

IUPACtert-butyl 2-(4-ethenylphenoxy)acetate
SMILESC=Cc1ccc(OCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H18O3/c1-5-11-6-8-12(9-7-11)16-10-13(15)17-14(2,3)4/h5-9H,1,10H2,2-4H3
InChIKeyAIBKTSSWLZGMLQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl 2-(4-ethenylphenoxy)acetate

tert-butyl 2-(4-ethenylphenoxy)acetate (PubChem CID 18762166) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is tert-butyl 2-(4-ethenylphenoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-ethenylphenoxy)acetate
PubChem CID18762166
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nametert-butyl 2-(4-ethenylphenoxy)acetate
SMILESC=Cc1ccc(OCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H18O3/c1-5-11-6-8-12(9-7-11)16-10-13(15)17-14(2,3)4/h5-9H,1,10H2,2-4H3
InChIKeyAIBKTSSWLZGMLQ-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
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-[4-(4,4,4-trifluoro-3-oxobut-1-enyl)phenoxy]acetate
CID 57277064
tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
CID 21185662
propyl 2-(4-ethenylphenoxy)acetate
CID 23504150
tert-butyl 2-[4-[4-(4-hydroxyphenyl)buta-1,3-dienyl]phenoxy]acetate;tert-butyl 2-methylprop-2-enoate
CID 87584168
tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
CID 163740142
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate
CID 19369048
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020
tert-butyl 2-(4-formylphenoxy)acetate;tert-butyl 2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetate
CID 159406771

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-ethenylphenoxy)acetate?
The IUPAC name of tert-butyl 2-(4-ethenylphenoxy)acetate (CID 18762166) is tert-butyl 2-(4-ethenylphenoxy)acetate.
What is the SMILES notation for tert-butyl 2-(4-ethenylphenoxy)acetate?
The canonical SMILES for tert-butyl 2-(4-ethenylphenoxy)acetate is C=Cc1ccc(OCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-(4-ethenylphenoxy)acetate?
The InChIKey is AIBKTSSWLZGMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-11-6-8-12(9-7-11)16-10-13(15)17-14(2,3)4/h5-9H,1,10H2,2-4H3.
What are the key properties of tert-butyl 2-(4-ethenylphenoxy)acetate?
tert-butyl 2-(4-ethenylphenoxy)acetate has a molecular weight of 234.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-ethenylphenoxy)acetate is sourced from PubChem (CID 18762166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).