2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid

C15H9F3O4 — CID 171830769

IUPAC2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C15H9F3O4/c16-15(17,18)8-5-6-11(12(19)7-8)13(20)9-3-1-2-4-10(9)14(21)22/h1-7,19H,(H,21,22)
InChIKeyGNZZNUADZQUVEA-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.34
Rot. Bonds3

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

2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid (PubChem CID 171830769) has the molecular formula C15H9F3O4 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
PubChem CID171830769
Molecular FormulaC15H9F3O4
Molecular Weight310.23 g/mol
Exact Mass310.05
IUPAC Name2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C15H9F3O4/c16-15(17,18)8-5-6-11(12(19)7-8)13(20)9-3-1-2-4-10(9)14(21)22/h1-7,19H,(H,21,22)
InChIKeyGNZZNUADZQUVEA-UHFFFAOYSA-N
XLogP3.34
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
CID 95420268
2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
CID 162619024
4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
CID 143439046
(4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone
CID 130471484
benzenesulfonyl 2-hydroxy-4-(trifluoromethyl)benzoate
CID 141476658
4-[1-(3,4-dicarboxyphenyl)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]phthalic acid
CID 141070674
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
2-[2-fluoro-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid
CID 107303398
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
benzene-1,2-diol;phthalic acid
CID 160861167

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid?
The IUPAC name of 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid (CID 171830769) is 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid.
What is the SMILES notation for 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid?
The canonical SMILES for 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid?
The InChIKey is GNZZNUADZQUVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O4/c16-15(17,18)8-5-6-11(12(19)7-8)13(20)9-3-1-2-4-10(9)14(21)22/h1-7,19H,(H,21,22).
What are the key properties of 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid?
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid has a molecular weight of 310.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid is sourced from PubChem (CID 171830769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).