5-bromo-2-hydroxy-3-phenylbenzoic acid

C13H9BrO3 — CID 22607959

IUPAC5-bromo-2-hydroxy-3-phenylbenzoic acid
SMILESO=C(O)c1cc(Br)cc(-c2ccccc2)c1O
InChIInChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
InChIKeyHUQWWRUNBHYQLK-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.52
Rot. Bonds2

About 5-bromo-2-hydroxy-3-phenylbenzoic acid

5-bromo-2-hydroxy-3-phenylbenzoic acid (PubChem CID 22607959) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-3-phenylbenzoic acid.

Molecular Properties

Compound Name5-bromo-2-hydroxy-3-phenylbenzoic acid
PubChem CID22607959
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name5-bromo-2-hydroxy-3-phenylbenzoic acid
SMILESO=C(O)c1cc(Br)cc(-c2ccccc2)c1O
InChIInChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
InChIKeyHUQWWRUNBHYQLK-UHFFFAOYSA-N
XLogP3.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-3-phenylbenzoic acid?
The IUPAC name of 5-bromo-2-hydroxy-3-phenylbenzoic acid (CID 22607959) is 5-bromo-2-hydroxy-3-phenylbenzoic acid.
What is the SMILES notation for 5-bromo-2-hydroxy-3-phenylbenzoic acid?
The canonical SMILES for 5-bromo-2-hydroxy-3-phenylbenzoic acid is O=C(O)c1cc(Br)cc(-c2ccccc2)c1O.
What is the InChIKey of 5-bromo-2-hydroxy-3-phenylbenzoic acid?
The InChIKey is HUQWWRUNBHYQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17).
What are the key properties of 5-bromo-2-hydroxy-3-phenylbenzoic acid?
5-bromo-2-hydroxy-3-phenylbenzoic acid has a molecular weight of 293.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-3-phenylbenzoic acid is sourced from PubChem (CID 22607959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).