(2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid

C26H23F3O4 — CID 143039243

IUPAC(2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid
SMILESC/C(=C\COc1ccc(O[C@H](C)C(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H23F3O4/c1-17(15-16-32-23-11-13-24(14-12-23)33-18(2)25(30)31)19-3-5-20(6-4-19)21-7-9-22(10-8-21)26(27,28)29/h3-15,18H,16H2,1-2H3,(H,30,31)/b17-15+/t18-/m1/s1
InChIKeyFZXFDUMMRZLJEA-WBWKYDSYSA-N
MW456.46 g/mol
LogP6.71
Rot. Bonds8

About (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid

(2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid (PubChem CID 143039243) has the molecular formula C26H23F3O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid
PubChem CID143039243
Molecular FormulaC26H23F3O4
Molecular Weight456.46 g/mol
Exact Mass456.15
IUPAC Name(2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid
SMILESC/C(=C\COc1ccc(O[C@H](C)C(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H23F3O4/c1-17(15-16-32-23-11-13-24(14-12-23)33-18(2)25(30)31)19-3-5-20(6-4-19)21-7-9-22(10-8-21)26(27,28)29/h3-15,18H,16H2,1-2H3,(H,30,31)/b17-15+/t18-/m1/s1
InChIKeyFZXFDUMMRZLJEA-WBWKYDSYSA-N
XLogP6.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid with MolForge

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Related Compounds

(2S)-2-methyl-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]butanoic acid
CID 11202537
1-(1-ethylcyclopropyl)oxy-4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]benzene
CID 148580363
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enoxy]phenoxy]-2-methylpropanoic acid
CID 72772775
ethyl 3-[4-[(E)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenyl]-2-ethoxypropanoate
CID 10120993
2,2-bis[4-[4-(trifluoromethyl)phenyl]phenoxy]acetic acid
CID 91671383
3-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117242534
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
2-ethoxy-3-[4-[3-(4-phenylphenyl)but-2-enoxy]phenyl]propanoic acid
CID 69457142
(2S)-2-[4-[(E)-3-[4-(4-fluorophenyl)phenyl]but-2-enoxy]phenoxy]-2,3-dimethylbut-3-enoic acid
CID 143039224
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
2-methyl-2-[4-[3-(4-phenylphenyl)but-2-enoxy]phenoxy]pentanoic acid
CID 69474931

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid (CID 143039243) is (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid is C/C(=C\COc1ccc(O[C@H](C)C(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid?
The InChIKey is FZXFDUMMRZLJEA-WBWKYDSYSA-N. The full InChI is InChI=1S/C26H23F3O4/c1-17(15-16-32-23-11-13-24(14-12-23)33-18(2)25(30)31)19-3-5-20(6-4-19)21-7-9-22(10-8-21)26(27,28)29/h3-15,18H,16H2,1-2H3,(H,30,31)/b17-15+/t18-/m1/s1.
What are the key properties of (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid?
(2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid has a molecular weight of 456.46 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid is sourced from PubChem (CID 143039243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).