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

C23H19F3O4 — CID 59820289

IUPAC2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
SMILESCCOc1cc(CC(=O)O)cc(Oc2cccc(-c3ccccc3C(F)(F)F)c2)c1
InChIInChI=1S/C23H19F3O4/c1-2-29-18-10-15(12-22(27)28)11-19(14-18)30-17-7-5-6-16(13-17)20-8-3-4-9-21(20)23(24,25)26/h3-11,13-14H,2,12H2,1H3,(H,27,28)
InChIKeyRERJWFJWZACTHO-UHFFFAOYSA-N
MW416.40 g/mol
LogP6.19
Rot. Bonds7

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

2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid (PubChem CID 59820289) has the molecular formula C23H19F3O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
PubChem CID59820289
Molecular FormulaC23H19F3O4
Molecular Weight416.40 g/mol
Exact Mass416.12
IUPAC Name2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
SMILESCCOc1cc(CC(=O)O)cc(Oc2cccc(-c3ccccc3C(F)(F)F)c2)c1
InChIInChI=1S/C23H19F3O4/c1-2-29-18-10-15(12-22(27)28)11-19(14-18)30-17-7-5-6-16(13-17)20-8-3-4-9-21(20)23(24,25)26/h3-11,13-14H,2,12H2,1H3,(H,27,28)
InChIKeyRERJWFJWZACTHO-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-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59820537
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-[3-(2-chloro-4-fluorophenyl)phenoxy]-5-methoxyphenyl]acetic acid
CID 59803449
2-[3-ethoxy-5-[2-phenyl-6-(trifluoromethoxy)phenyl]sulfonylphenyl]acetic acid
CID 141170423
2-[3-[3-[(Z)-3-amino-1-(methylamino)prop-1-en-2-yl]phenoxy]-5-ethoxyphenyl]acetic acid
CID 71213055
2-[3,5-dichloro-4-[3-(3-ethoxyphenyl)-4-hydroxyphenoxy]phenyl]acetic acid
CID 69038710
2-[3-ethoxy-5-[3-[3-(trifluoromethoxy)phenyl]phenoxy]phenyl]ethane-1,1-diol
CID 71212964
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]acetic acid
CID 66913937
2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
CID 59803406
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid (CID 59820289) is 2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid is CCOc1cc(CC(=O)O)cc(Oc2cccc(-c3ccccc3C(F)(F)F)c2)c1.
What is the InChIKey of 2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid?
The InChIKey is RERJWFJWZACTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O4/c1-2-29-18-10-15(12-22(27)28)11-19(14-18)30-17-7-5-6-16(13-17)20-8-3-4-9-21(20)23(24,25)26/h3-11,13-14H,2,12H2,1H3,(H,27,28).
What are the key properties of 2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid?
2-[3-ethoxy-5-[3-[2-(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-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid is sourced from PubChem (CID 59820289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).