2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid

C20H15F3O3 — CID 133245707

IUPAC2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(Cc1cccc(C(F)(F)F)c1)Oc1cccc2ccccc12
InChIInChI=1S/C20H15F3O3/c21-20(22,23)15-8-3-5-13(11-15)12-18(19(24)25)26-17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12H2,(H,24,25)
InChIKeySCJLHJIYANUJGD-UHFFFAOYSA-N
MW360.33 g/mol
LogP4.93
Rot. Bonds5

About 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid

2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 133245707) has the molecular formula C20H15F3O3 and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID133245707
Molecular FormulaC20H15F3O3
Molecular Weight360.33 g/mol
Exact Mass360.10
IUPAC Name2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(Cc1cccc(C(F)(F)F)c1)Oc1cccc2ccccc12
InChIInChI=1S/C20H15F3O3/c21-20(22,23)15-8-3-5-13(11-15)12-18(19(24)25)26-17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12H2,(H,24,25)
InChIKeySCJLHJIYANUJGD-UHFFFAOYSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245690
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246
(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541174
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
naphthalen-1-yl 3-(trifluoromethyl)benzoate
CID 7913780
dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 10503338
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
2-naphthalen-1-yloxy-3-(2-phenylsulfanylphenyl)propanoic acid
CID 133241337
(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100537884
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid (CID 133245707) is 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid is O=C(O)C(Cc1cccc(C(F)(F)F)c1)Oc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is SCJLHJIYANUJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O3/c21-20(22,23)15-8-3-5-13(11-15)12-18(19(24)25)26-17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12H2,(H,24,25).
What are the key properties of 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid?
2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 360.33 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 133245707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).