2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid

C19H19F3O3 — CID 142781169

IUPAC2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1cc(O)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3O3/c1-11(2)7-17(18(24)25)14-8-13(9-16(23)10-14)12-3-5-15(6-4-12)19(20,21)22/h3-6,8-11,17,23H,7H2,1-2H3,(H,24,25)
InChIKeyUHZFQHUJUKDCFT-UHFFFAOYSA-N
MW352.35 g/mol
LogP5.29
Rot. Bonds5

About 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid

2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid (PubChem CID 142781169) has the molecular formula C19H19F3O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
PubChem CID142781169
Molecular FormulaC19H19F3O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1cc(O)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3O3/c1-11(2)7-17(18(24)25)14-8-13(9-16(23)10-14)12-3-5-15(6-4-12)19(20,21)22/h3-6,8-11,17,23H,7H2,1-2H3,(H,24,25)
InChIKeyUHZFQHUJUKDCFT-UHFFFAOYSA-N
XLogP5.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.35
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3'-Hydroxyphenylacetic acid
CID 12122
O-Desmethylnaproxen
CID 13393711
Desmethylnaproxen
CID 162920
3-[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenyl]-propionic acid
CID 10936298
7-(4-Fluorophenyl)-7-(2-hydroxy-3,4,6-trimethylphenyl)heptanoic acid
CID 11024760
7-(4-Fluorophenyl)-7-(2-hydroxy-3,5,6-trimethylphenyl)heptanoic acid
CID 15125097
7-(4-Fluorophenyl)-7-(2-hydroxy-3,4,5,6-tetramethylphenyl)heptanoic acid
CID 15125102
7-(3-Acetyl-6-hydroxy-2,4,5-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid
CID 15125135
7-(4-Fluorophenyl)-7-(2-hydroxy-3,4,6-trimethyl-5-pentanoylphenyl)heptanoic acid
CID 15125147
2-[3-[3-Fluoro-5-(trifluoromethyl)phenoxy]-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 17747424
7-(4-Fluorophenyl)-7-(6-hydroxy-3-hydroxymethyl-2,4,5-trimethylphenyl)heptanoic acid
CID 19936164
2-[3-(3,5-Difluorophenoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 57754973

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid?
The IUPAC name of 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid (CID 142781169) is 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)c1cc(O)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid?
The InChIKey is UHZFQHUJUKDCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O3/c1-11(2)7-17(18(24)25)14-8-13(9-16(23)10-14)12-3-5-15(6-4-12)19(20,21)22/h3-6,8-11,17,23H,7H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid?
2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid has a molecular weight of 352.35 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid is sourced from PubChem (CID 142781169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).