tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate

C22H24O4 — CID 67610410

IUPACtert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate
SMILESC=Cc1ccc(OC(C=Cc2ccc(O)cc2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H24O4/c1-5-16-8-13-19(14-9-16)25-20(21(24)26-22(2,3)4)15-10-17-6-11-18(23)12-7-17/h5-15,20,23H,1H2,2-4H3
InChIKeyWETYABLVBGTISD-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.84
Rot. Bonds6

About tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate

tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate (PubChem CID 67610410) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate.

Molecular Properties

Compound Nametert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate
PubChem CID67610410
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Nametert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate
SMILESC=Cc1ccc(OC(C=Cc2ccc(O)cc2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H24O4/c1-5-16-8-13-19(14-9-16)25-20(21(24)26-22(2,3)4)15-10-17-6-11-18(23)12-7-17/h5-15,20,23H,1H2,2-4H3
InChIKeyWETYABLVBGTISD-UHFFFAOYSA-N
XLogP4.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429
tert-butyl 2-(4-ethenylphenoxy)acetate
CID 18762166
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;methyl 2-methylprop-2-enoate
CID 67421785
tert-butyl 2-methylidene-4-phenylbut-3-enoate;4-ethenylphenol
CID 87493330
4-ethenylphenol;propan-2-ol
CID 159910746
tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene
CID 158185481
(4R)-4-hydroxy-2-[(S)-hydroxy(hydroxysulfanyl)methoxy]-3-[4-[(1Z)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenoxy]-2-methylpentanoic acid
CID 143987027
methyl (2R)-4-phenyl-2-[4-(trifluoromethyl)phenoxy]but-3-enoate
CID 68500952
4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol
CID 89096007
tert-butyl 2-methylprop-2-enoate;4-[4-[4-(1-ethoxyethoxy)phenyl]buta-1,3-dienyl]phenol
CID 87583156
4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one
CID 69079143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate?
The IUPAC name of tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate (CID 67610410) is tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate.
What is the SMILES notation for tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate?
The canonical SMILES for tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate is C=Cc1ccc(OC(C=Cc2ccc(O)cc2)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate?
The InChIKey is WETYABLVBGTISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-5-16-8-13-19(14-9-16)25-20(21(24)26-22(2,3)4)15-10-17-6-11-18(23)12-7-17/h5-15,20,23H,1H2,2-4H3.
What are the key properties of tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate?
tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate has a molecular weight of 352.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate is sourced from PubChem (CID 67610410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).