2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid

C15H11F3O3 — CID 166815793

IUPAC2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)C(O)c1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(19)14(20)21/h1-8,13,19H,(H,20,21)
InChIKeyYBAUDYAWQPLTKK-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.49
Rot. Bonds3

About 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid

2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 166815793) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID166815793
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)C(O)c1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(19)14(20)21/h1-8,13,19H,(H,20,21)
InChIKeyYBAUDYAWQPLTKK-UHFFFAOYSA-N
XLogP3.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118841259
(2S)-3-methyl-2-[4-[3-(trifluoromethyl)phenyl]phenyl]butanoic acid
CID 11652705
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 134622895
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 172876886
2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 94301681

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 166815793) is 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)C(O)c1cccc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is YBAUDYAWQPLTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(19)14(20)21/h1-8,13,19H,(H,20,21).
What are the key properties of 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 296.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 166815793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).