4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid

C14H9F3O4 — CID 53222015

IUPAC4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C14H9F3O4/c15-14(16,17)21-12-6-10(5-11(18)7-12)8-1-3-9(4-2-8)13(19)20/h1-7,18H,(H,19,20)
InChIKeyJOWRKFAYHDZXSZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds3

About 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid

4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 53222015) has the molecular formula C14H9F3O4 and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID53222015
Molecular FormulaC14H9F3O4
Molecular Weight298.22 g/mol
Exact Mass298.05
IUPAC Name4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C14H9F3O4/c15-14(16,17)21-12-6-10(5-11(18)7-12)8-1-3-9(4-2-8)13(19)20/h1-7,18H,(H,19,20)
InChIKeyJOWRKFAYHDZXSZ-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-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222099
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
3-amino-4-[3-(4-carboxyphenyl)-5-(trifluoromethoxy)phenyl]benzoic acid
CID 175730003
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide
CID 53222199
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221967
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
4-[4-(3-hydroxy-5-methoxycarbonylphenyl)phenyl]benzoic acid
CID 167869556
3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067
methyl 4-fluoro-3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoate
CID 53222141

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid (CID 53222015) is 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is JOWRKFAYHDZXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O4/c15-14(16,17)21-12-6-10(5-11(18)7-12)8-1-3-9(4-2-8)13(19)20/h1-7,18H,(H,19,20).
What are the key properties of 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid?
4-[3-hydroxy-5-(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 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 53222015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).