2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid

C23H19F3O4 — CID 59820537

IUPAC2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
SMILESCCOc1cc(CC(=O)O)cc(Oc2cccc(-c3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C23H19F3O4/c1-2-29-20-9-15(11-22(27)28)10-21(14-20)30-19-8-4-6-17(13-19)16-5-3-7-18(12-16)23(24,25)26/h3-10,12-14H,2,11H2,1H3,(H,27,28)
InChIKeyULYWGDKFLVQAID-UHFFFAOYSA-N
MW416.40 g/mol
LogP6.19
Rot. Bonds7

About 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid

2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid (PubChem CID 59820537) has the molecular formula C23H19F3O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
PubChem CID59820537
Molecular FormulaC23H19F3O4
Molecular Weight416.40 g/mol
Exact Mass416.12
IUPAC Name2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
SMILESCCOc1cc(CC(=O)O)cc(Oc2cccc(-c3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C23H19F3O4/c1-2-29-20-9-15(11-22(27)28)10-21(14-20)30-19-8-4-6-17(13-19)16-5-3-7-18(12-16)23(24,25)26/h3-10,12-14H,2,11H2,1H3,(H,27,28)
InChIKeyULYWGDKFLVQAID-UHFFFAOYSA-N
XLogP6.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59820289
2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid
CID 59820336
2-[3-methoxy-5-[3-[4-(trifluoromethoxy)phenyl]phenoxy]phenyl]acetic acid
CID 25062184
2-[3-[3-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59803462
2-[3-ethoxy-5-[3-[3-(trifluoromethoxy)phenyl]phenoxy]phenyl]ethane-1,1-diol
CID 71212964
5-methyl-4-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]furan-2-carboxylic acid
CID 18444604
2-[3-methoxy-5-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid
CID 23122342
2-[3-[3-[(Z)-3-amino-1-(methylamino)prop-1-en-2-yl]phenoxy]-5-ethoxyphenyl]acetic acid
CID 71213055
3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol
CID 53222024
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid (CID 59820537) is 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid is CCOc1cc(CC(=O)O)cc(Oc2cccc(-c3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid?
The InChIKey is ULYWGDKFLVQAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O4/c1-2-29-20-9-15(11-22(27)28)10-21(14-20)30-19-8-4-6-17(13-19)16-5-3-7-18(12-16)23(24,25)26/h3-10,12-14H,2,11H2,1H3,(H,27,28).
What are the key properties of 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid?
2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid has a molecular weight of 416.40 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid is sourced from PubChem (CID 59820537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).