(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid

C16H12ClF3O3 — CID 100541246

IUPAC(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF3O3/c17-12-4-6-13(7-5-12)23-14(15(21)22)9-10-2-1-3-11(8-10)16(18,19)20/h1-8,14H,9H2,(H,21,22)/t14-/m1/s1
InChIKeyHYGJBHARMHZTGI-CQSZACIVSA-N
MW344.72 g/mol
LogP4.43
Rot. Bonds5

About (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid

(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 100541246) has the molecular formula C16H12ClF3O3 and a molecular weight of 344.72 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID100541246
Molecular FormulaC16H12ClF3O3
Molecular Weight344.72 g/mol
Exact Mass344.04
IUPAC Name(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF3O3/c17-12-4-6-13(7-5-12)23-14(15(21)22)9-10-2-1-3-11(8-10)16(18,19)20/h1-8,14H,9H2,(H,21,22)/t14-/m1/s1
InChIKeyHYGJBHARMHZTGI-CQSZACIVSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541174
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245690
2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245707
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
CID 57400967
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
CID 91594906
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
(2S)-2-(4-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535737
3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141107925

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid (CID 100541246) is (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid is O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is HYGJBHARMHZTGI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12ClF3O3/c17-12-4-6-13(7-5-12)23-14(15(21)22)9-10-2-1-3-11(8-10)16(18,19)20/h1-8,14H,9H2,(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 344.72 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 100541246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).