3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid

C14H9F3O4 — CID 171115617

IUPAC3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(OC(F)(F)F)cc2O)c1
InChIInChI=1S/C14H9F3O4/c15-14(16,17)21-10-4-5-11(12(18)7-10)8-2-1-3-9(6-8)13(19)20/h1-7,18H,(H,19,20)
InChIKeyWIZNIFKWGODWOG-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds3

About 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid

3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 171115617) has the molecular formula C14H9F3O4 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID171115617
Molecular FormulaC14H9F3O4
Molecular Weight298.22 g/mol
Exact Mass298.05
IUPAC Name3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(OC(F)(F)F)cc2O)c1
InChIInChI=1S/C14H9F3O4/c15-14(16,17)21-10-4-5-11(12(18)7-10)8-2-1-3-9(6-8)13(19)20/h1-7,18H,(H,19,20)
InChIKeyWIZNIFKWGODWOG-UHFFFAOYSA-N
XLogP3.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053
4-(3-chlorophenyl)-3-hydroxybenzoic acid
CID 53225819
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
3-[1-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrrol-4-yl]benzoic acid
CID 71051811
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
3-[4-(difluoromethoxy)phenyl]benzoic acid
CID 71025160
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid (CID 171115617) is 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1cccc(-c2ccc(OC(F)(F)F)cc2O)c1.
What is the InChIKey of 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is WIZNIFKWGODWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O4/c15-14(16,17)21-10-4-5-11(12(18)7-10)8-2-1-3-9(6-8)13(19)20/h1-7,18H,(H,19,20).
What are the key properties of 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid?
3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 298.22 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 171115617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).