(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid

C17H15F3O3 — CID 100541174

IUPAC(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESCc1cccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1
InChIInChI=1S/C17H15F3O3/c1-11-4-2-7-14(8-11)23-15(16(21)22)10-12-5-3-6-13(9-12)17(18,19)20/h2-9,15H,10H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyPWGVRXFQBSSATQ-OAHLLOKOSA-N
MW324.30 g/mol
LogP4.09
Rot. Bonds5

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

(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 100541174) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID100541174
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESCc1cccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1
InChIInChI=1S/C17H15F3O3/c1-11-4-2-7-14(8-11)23-15(16(21)22)10-12-5-3-6-13(9-12)17(18,19)20/h2-9,15H,10H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyPWGVRXFQBSSATQ-OAHLLOKOSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245690
2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245707
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
(2S)-3-(4-iodophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100535647
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
(2S)-2-(3-methylphenoxy)butanedioic acid
CID 141249826

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid (CID 100541174) is (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid is Cc1cccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1.
What is the InChIKey of (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is PWGVRXFQBSSATQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-11-4-2-7-14(8-11)23-15(16(21)22)10-12-5-3-6-13(9-12)17(18,19)20/h2-9,15H,10H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 324.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 100541174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).