2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid

C17H15F3O4 — CID 133245690

IUPAC2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESCOc1ccccc1OC(Cc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C17H15F3O4/c1-23-13-7-2-3-8-14(13)24-15(16(21)22)10-11-5-4-6-12(9-11)17(18,19)20/h2-9,15H,10H2,1H3,(H,21,22)
InChIKeyLTCLGRQXRUYBKK-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.79
Rot. Bonds6

About 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid

2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 133245690) has the molecular formula C17H15F3O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID133245690
Molecular FormulaC17H15F3O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESCOc1ccccc1OC(Cc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C17H15F3O4/c1-23-13-7-2-3-8-14(13)24-15(16(21)22)10-11-5-4-6-12(9-11)17(18,19)20/h2-9,15H,10H2,1H3,(H,21,22)
InChIKeyLTCLGRQXRUYBKK-UHFFFAOYSA-N
XLogP3.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245707
(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541174
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 133241387
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133241239
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid (CID 133245690) is 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid is COc1ccccc1OC(Cc1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is LTCLGRQXRUYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O4/c1-23-13-7-2-3-8-14(13)24-15(16(21)22)10-11-5-4-6-12(9-11)17(18,19)20/h2-9,15H,10H2,1H3,(H,21,22).
What are the key properties of 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 340.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 133245690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).