4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid

C13H9FO4 — CID 53225677

IUPAC4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2O)c(O)c1
InChIInChI=1S/C13H9FO4/c14-8-2-4-10(12(16)6-8)9-3-1-7(13(17)18)5-11(9)15/h1-6,15-16H,(H,17,18)
InChIKeyNTWLLIMQLCBEPS-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.60
Rot. Bonds2

About 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid

4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid (PubChem CID 53225677) has the molecular formula C13H9FO4 and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
PubChem CID53225677
Molecular FormulaC13H9FO4
Molecular Weight248.21 g/mol
Exact Mass248.05
IUPAC Name4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2O)c(O)c1
InChIInChI=1S/C13H9FO4/c14-8-2-4-10(12(16)6-8)9-3-1-7(13(17)18)5-11(9)15/h1-6,15-16H,(H,17,18)
InChIKeyNTWLLIMQLCBEPS-UHFFFAOYSA-N
XLogP2.60
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
CID 53227336
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid
CID 114103570
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
benzene;3,4-dihydroxybenzoic acid
CID 175073097
5-fluoro-2-(2-hydroxyphenyl)phenol
CID 53218535
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid?
The IUPAC name of 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid (CID 53225677) is 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid is O=C(O)c1ccc(-c2ccc(F)cc2O)c(O)c1.
What is the InChIKey of 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid?
The InChIKey is NTWLLIMQLCBEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO4/c14-8-2-4-10(12(16)6-8)9-3-1-7(13(17)18)5-11(9)15/h1-6,15-16H,(H,17,18).
What are the key properties of 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid?
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid has a molecular weight of 248.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid is sourced from PubChem (CID 53225677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).