2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid

C14H9F3O4 — CID 154115475

IUPAC2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C14H9F3O4/c15-14(16,17)8-1-3-9(4-2-8)21-10-5-6-12(18)11(7-10)13(19)20/h1-7,18H,(H,19,20)
InChIKeyFYNDZPFUPORQON-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.90
Rot. Bonds3

About 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid

2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 154115475) has the molecular formula C14H9F3O4 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID154115475
Molecular FormulaC14H9F3O4
Molecular Weight298.22 g/mol
Exact Mass298.05
IUPAC Name2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C14H9F3O4/c15-14(16,17)8-1-3-9(4-2-8)21-10-5-6-12(18)11(7-10)13(19)20/h1-7,18H,(H,19,20)
InChIKeyFYNDZPFUPORQON-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate
CID 14554238
2-hydroxy-5-(4-nitrophenoxy)benzoic acid
CID 21492504
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-chlorobenzoic acid
CID 57194158
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
6-chloro-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 63376513
5-(4-tert-butylphenoxy)-2-carbamoylbenzoic acid
CID 168918436

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid (CID 154115475) is 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid is O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is FYNDZPFUPORQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O4/c15-14(16,17)8-1-3-9(4-2-8)21-10-5-6-12(18)11(7-10)13(19)20/h1-7,18H,(H,19,20).
What are the key properties of 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid?
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid has a molecular weight of 298.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 154115475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).