ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate

C26H25F3O4 — CID 68833406

IUPACethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(C=Cc2cc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1
InChIInChI=1S/C26H25F3O4/c1-5-31-24(30)25(3,4)33-22-14-7-18(8-15-22)6-9-20-16-23(32-17(20)2)19-10-12-21(13-11-19)26(27,28)29/h6-16H,5H2,1-4H3
InChIKeyASYYVSOENMYGAH-UHFFFAOYSA-N
MW458.48 g/mol
LogP7.16
Rot. Bonds7

About ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate

ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate (PubChem CID 68833406) has the molecular formula C26H25F3O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate
PubChem CID68833406
Molecular FormulaC26H25F3O4
Molecular Weight458.48 g/mol
Exact Mass458.17
IUPAC Nameethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(C=Cc2cc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1
InChIInChI=1S/C26H25F3O4/c1-5-31-24(30)25(3,4)33-22-14-7-18(8-15-22)6-9-20-16-23(32-17(20)2)19-10-12-21(13-11-19)26(27,28)29/h6-16H,5H2,1-4H3
InChIKeyASYYVSOENMYGAH-UHFFFAOYSA-N
XLogP7.16
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate with MolForge

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Related Compounds

ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
2-methyl-2-[4-[3-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propoxy]phenoxy]propanoic acid
CID 23074271
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
ethyl 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 23141481
ethyl (E)-2,2-difluoro-4-[4-(trifluoromethoxy)phenyl]but-3-enoate
CID 132938050
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
ethyl 2-methyl-2-[4-[[methyl-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate
CID 10164953
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
CID 22934575
ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate
CID 153411971
ethyl 2-methyl-2-[4-[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enoxy]phenoxy]propanoate
CID 58816032

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate (CID 68833406) is ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(C=Cc2cc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1.
What is the InChIKey of ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate?
The InChIKey is ASYYVSOENMYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3O4/c1-5-31-24(30)25(3,4)33-22-14-7-18(8-15-22)6-9-20-16-23(32-17(20)2)19-10-12-21(13-11-19)26(27,28)29/h6-16H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate?
ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate has a molecular weight of 458.48 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[4-[2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethenyl]phenoxy]propanoate is sourced from PubChem (CID 68833406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).