2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid

C13H8BrFO3 — CID 175039635

IUPAC2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1ccc(Br)cc1O
InChIInChI=1S/C13H8BrFO3/c14-7-1-3-10(12(16)5-7)9-4-2-8(15)6-11(9)13(17)18/h1-6,16H,(H,17,18)
InChIKeyKWRJDQYVCWHDKD-UHFFFAOYSA-N
MW311.11 g/mol
LogP3.66
Rot. Bonds2

About 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid

2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid (PubChem CID 175039635) has the molecular formula C13H8BrFO3 and a molecular weight of 311.11 g/mol. Its IUPAC name is 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid
PubChem CID175039635
Molecular FormulaC13H8BrFO3
Molecular Weight311.11 g/mol
Exact Mass309.96
IUPAC Name2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1ccc(Br)cc1O
InChIInChI=1S/C13H8BrFO3/c14-7-1-3-10(12(16)5-7)9-4-2-8(15)6-11(9)13(17)18/h1-6,16H,(H,17,18)
InChIKeyKWRJDQYVCWHDKD-UHFFFAOYSA-N
XLogP3.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid (CID 175039635) is 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1-c1ccc(Br)cc1O.
What is the InChIKey of 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid?
The InChIKey is KWRJDQYVCWHDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO3/c14-7-1-3-10(12(16)5-7)9-4-2-8(15)6-11(9)13(17)18/h1-6,16H,(H,17,18).
What are the key properties of 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid?
2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid has a molecular weight of 311.11 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-hydroxyphenyl)-5-fluorobenzoic acid is sourced from PubChem (CID 175039635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).