4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid

C8H4F3IO3 — CID 123218137

IUPAC4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(I)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C8H4F3IO3/c9-8(10,11)4-1-3(7(14)15)2-5(12)6(4)13/h1-2,13H,(H,14,15)
InChIKeyDILTUPZVKIUPIU-UHFFFAOYSA-N
MW332.02 g/mol
LogP2.71
Rot. Bonds1

About 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid

4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid (PubChem CID 123218137) has the molecular formula C8H4F3IO3 and a molecular weight of 332.02 g/mol. Its IUPAC name is 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid
PubChem CID123218137
Molecular FormulaC8H4F3IO3
Molecular Weight332.02 g/mol
Exact Mass331.92
IUPAC Name4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(I)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C8H4F3IO3/c9-8(10,11)4-1-3(7(14)15)2-5(12)6(4)13/h1-2,13H,(H,14,15)
InChIKeyDILTUPZVKIUPIU-UHFFFAOYSA-N
XLogP2.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.02
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3,5-diiodobenzoic acid
CID 12065
4-[4-carboxy-2,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzoic acid
CID 59002552
3-hydroxy-4,5-bis(trifluoromethyl)benzoic acid
CID 134639121
4-fluoro-3-hydroxy-5-iodobenzoic acid
CID 118684762
3,4-difluoro-5-iodobenzoic acid
CID 130053511
3-fluoro-4,5-diiodobenzoic acid
CID 130839523
4-ethoxy-2-iodo-6-(trifluoromethyl)phenol
CID 171002578
2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid
CID 25136340
4-amino-3-bromo-5-(trifluoromethyl)benzoic acid;hydrochloride
CID 70624038
4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid
CID 171001263
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
3,4,5-trihydroxybenzoic acid
CID 370

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid (CID 123218137) is 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(I)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid?
The InChIKey is DILTUPZVKIUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IO3/c9-8(10,11)4-1-3(7(14)15)2-5(12)6(4)13/h1-2,13H,(H,14,15).
What are the key properties of 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid?
4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid has a molecular weight of 332.02 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 123218137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).