tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate

C15H20O3 — CID 21185662

IUPACtert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
SMILESC=C(C)c1ccc(OCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H20O3/c1-11(2)12-6-8-13(9-7-12)17-10-14(16)18-15(3,4)5/h6-9H,1,10H2,2-5H3
InChIKeyFXLGWIDMNNZDEL-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.44
Rot. Bonds4

About tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate

tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate (PubChem CID 21185662) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
PubChem CID21185662
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nametert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
SMILESC=C(C)c1ccc(OCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H20O3/c1-11(2)12-6-8-13(9-7-12)17-10-14(16)18-15(3,4)5/h6-9H,1,10H2,2-5H3
InChIKeyFXLGWIDMNNZDEL-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[4-[1,1-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetate
CID 23023013
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
tert-butyl 2-(4-ethenylphenoxy)acetate
CID 18762166
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
CID 163740142
tert-butyl 2-[4-(thiolan-1-ium-1-yl)phenoxy]acetate
CID 59080183
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
tert-butyl 2-[4-(thian-1-ium-1-yl)phenoxy]acetate
CID 59080202
[4-(dimethylamino)phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 18381187
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-butan-2-ylphenoxy)acetate
CID 18731020
tert-butyl 2-[3-hydroxy-4-(4-methylbenzoyl)phenoxy]acetate
CID 166860175

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate?
The IUPAC name of tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate (CID 21185662) is tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate.
What is the SMILES notation for tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate?
The canonical SMILES for tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate is C=C(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate?
The InChIKey is FXLGWIDMNNZDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)12-6-8-13(9-7-12)17-10-14(16)18-15(3,4)5/h6-9H,1,10H2,2-5H3.
What are the key properties of tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate?
tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate has a molecular weight of 248.32 g/mol, XLogP of 3.44, 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-prop-1-en-2-ylphenoxy)acetate is sourced from PubChem (CID 21185662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).