2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid

C14H9F3O3 — CID 175158556

IUPAC2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(C(F)(F)F)cc1O
InChIInChI=1S/C14H9F3O3/c15-14(16,17)11-7-12(18)10(13(19)20)6-9(11)8-4-2-1-3-5-8/h1-7,18H,(H,19,20)
InChIKeyDKDLOOAQZVMBPZ-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.78
Rot. Bonds2

About 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid

2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid (PubChem CID 175158556) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
PubChem CID175158556
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(C(F)(F)F)cc1O
InChIInChI=1S/C14H9F3O3/c15-14(16,17)11-7-12(18)10(13(19)20)6-9(11)8-4-2-1-3-5-8/h1-7,18H,(H,19,20)
InChIKeyDKDLOOAQZVMBPZ-UHFFFAOYSA-N
XLogP3.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
CID 46313199
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
CID 171830769
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
2-methyl-4-phenyl-3-(trifluoromethyl)benzoic acid
CID 67541759
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
2-(2-phenylphenyl)terephthalic acid
CID 67851740
4-[3-[4-[3,5-bis(4-carboxyphenyl)phenyl]-2,5-bis(trifluoromethyl)phenyl]-5-(4-carboxyphenyl)phenyl]benzoic acid
CID 135326305
3-hydroxytriphenylene-2-carboxylic acid
CID 18963666

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid (CID 175158556) is 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid is O=C(O)c1cc(-c2ccccc2)c(C(F)(F)F)cc1O.
What is the InChIKey of 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid?
The InChIKey is DKDLOOAQZVMBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-14(16,17)11-7-12(18)10(13(19)20)6-9(11)8-4-2-1-3-5-8/h1-7,18H,(H,19,20).
What are the key properties of 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid?
2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid has a molecular weight of 282.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 175158556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).