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

C14H9F3O4 — CID 53228258

IUPAC2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1O
InChIInChI=1S/C14H9F3O4/c15-14(16,17)21-10-4-1-8(2-5-10)9-3-6-11(13(19)20)12(18)7-9/h1-7,18H,(H,19,20)
InChIKeyZWQGAZLRBHUTCZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds3

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

2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 53228258) has the molecular formula C14H9F3O4 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID53228258
Molecular FormulaC14H9F3O4
Molecular Weight298.22 g/mol
Exact Mass298.05
IUPAC Name2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1O
InChIInChI=1S/C14H9F3O4/c15-14(16,17)21-10-4-1-8(2-5-10)9-3-6-11(13(19)20)12(18)7-9/h1-7,18H,(H,19,20)
InChIKeyZWQGAZLRBHUTCZ-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

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Related Compounds

2-benzamido-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 67342853
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 118180284
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid
CID 22971768
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222099
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid (CID 53228258) is 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1O.
What is the InChIKey of 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is ZWQGAZLRBHUTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O4/c15-14(16,17)21-10-4-1-8(2-5-10)9-3-6-11(13(19)20)12(18)7-9/h1-7,18H,(H,19,20).
What are the key properties of 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid?
2-hydroxy-4-[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 2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 53228258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).