2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid

C19H19F3O3 — CID 10498178

IUPAC2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C)c1ccc(OC(Cc2ccccc2C(F)(F)F)C(=O)O)cc1
InChIInChI=1S/C19H19F3O3/c1-12(2)13-7-9-15(10-8-13)25-17(18(23)24)11-14-5-3-4-6-16(14)19(20,21)22/h3-10,12,17H,11H2,1-2H3,(H,23,24)
InChIKeyZCKZBNARBRXSCN-UHFFFAOYSA-N
MW352.35 g/mol
LogP4.90
Rot. Bonds6

About 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid

2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 10498178) has the molecular formula C19H19F3O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid
PubChem CID10498178
Molecular FormulaC19H19F3O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C)c1ccc(OC(Cc2ccccc2C(F)(F)F)C(=O)O)cc1
InChIInChI=1S/C19H19F3O3/c1-12(2)13-7-9-15(10-8-13)25-17(18(23)24)11-14-5-3-4-6-16(14)19(20,21)22/h3-10,12,17H,11H2,1-2H3,(H,23,24)
InChIKeyZCKZBNARBRXSCN-UHFFFAOYSA-N
XLogP4.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675
(2R)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533231
(2S)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533221
(2R)-2-(4-tert-butylphenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529756
2-(4-aminophenyl)-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 83950622
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 69270720
(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100524579

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid (CID 10498178) is 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid is CC(C)c1ccc(OC(Cc2ccccc2C(F)(F)F)C(=O)O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is ZCKZBNARBRXSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O3/c1-12(2)13-7-9-15(10-8-13)25-17(18(23)24)11-14-5-3-4-6-16(14)19(20,21)22/h3-10,12,17H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid?
2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 352.35 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 10498178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).