2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid

C22H17F3O3 — CID 177379493

IUPAC2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2OCc2ccccc2)cc1
InChIInChI=1S/C22H17F3O3/c23-22(24,25)18-10-11-19(17-8-6-15(7-9-17)12-21(26)27)20(13-18)28-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,26,27)
InChIKeyHJVIKDDOYTVVEJ-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.58
Rot. Bonds6

About 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid

2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 177379493) has the molecular formula C22H17F3O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID177379493
Molecular FormulaC22H17F3O3
Molecular Weight386.37 g/mol
Exact Mass386.11
IUPAC Name2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2OCc2ccccc2)cc1
InChIInChI=1S/C22H17F3O3/c23-22(24,25)18-10-11-19(17-8-6-15(7-9-17)12-21(26)27)20(13-18)28-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,26,27)
InChIKeyHJVIKDDOYTVVEJ-UHFFFAOYSA-N
XLogP5.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 177379493) is 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2OCc2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is HJVIKDDOYTVVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3O3/c23-22(24,25)18-10-11-19(17-8-6-15(7-9-17)12-21(26)27)20(13-18)28-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,26,27).
What are the key properties of 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 386.37 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 177379493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).