3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid

C16H13F3O4 — CID 141107925

IUPAC3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H13F3O4/c17-16(18,19)23-13-8-6-12(7-9-13)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)
InChIKeyYRNOKPACLSBRHH-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.66
Rot. Bonds6

About 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid

3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid (PubChem CID 141107925) has the molecular formula C16H13F3O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
PubChem CID141107925
Molecular FormulaC16H13F3O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Name3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H13F3O4/c17-16(18,19)23-13-8-6-12(7-9-13)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)
InChIKeyYRNOKPACLSBRHH-UHFFFAOYSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
(2S)-2-methoxy-3-[4-[3-[4-(trifluoromethoxy)phenoxy]propoxy]phenyl]propanoic acid
CID 58822828
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246
3-phenyl-2-(2,2,2-trifluoroacetyl)oxypropanoic acid
CID 174386081
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid?
The IUPAC name of 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid (CID 141107925) is 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid?
The canonical SMILES for 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid is O=C(O)C(Cc1ccccc1)Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid?
The InChIKey is YRNOKPACLSBRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O4/c17-16(18,19)23-13-8-6-12(7-9-13)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21).
What are the key properties of 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid?
3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid has a molecular weight of 326.27 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid is sourced from PubChem (CID 141107925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).