2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid

C13H7F3O3 — CID 53226948

IUPAC2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2c(F)cc(F)cc2F)cc1O
InChIInChI=1S/C13H7F3O3/c14-7-4-9(15)12(10(16)5-7)6-1-2-8(13(18)19)11(17)3-6/h1-5,17H,(H,18,19)
InChIKeyBPURKOCQMBNVQB-UHFFFAOYSA-N
MW268.19 g/mol
LogP3.17
Rot. Bonds2

About 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid

2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid (PubChem CID 53226948) has the molecular formula C13H7F3O3 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid
PubChem CID53226948
Molecular FormulaC13H7F3O3
Molecular Weight268.19 g/mol
Exact Mass268.03
IUPAC Name2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2c(F)cc(F)cc2F)cc1O
InChIInChI=1S/C13H7F3O3/c14-7-4-9(15)12(10(16)5-7)6-1-2-8(13(18)19)11(17)3-6/h1-5,17H,(H,18,19)
InChIKeyBPURKOCQMBNVQB-UHFFFAOYSA-N
XLogP3.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid (CID 53226948) is 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid is O=C(O)c1ccc(-c2c(F)cc(F)cc2F)cc1O.
What is the InChIKey of 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid?
The InChIKey is BPURKOCQMBNVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O3/c14-7-4-9(15)12(10(16)5-7)6-1-2-8(13(18)19)11(17)3-6/h1-5,17H,(H,18,19).
What are the key properties of 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid?
2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid has a molecular weight of 268.19 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid is sourced from PubChem (CID 53226948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).