4-(2,4-difluorophenyl)-3-hydroxybenzoic acid

C13H8F2O3 — CID 53225857

IUPAC4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C13H8F2O3/c14-8-2-4-9(11(15)6-8)10-3-1-7(13(17)18)5-12(10)16/h1-6,16H,(H,17,18)
InChIKeyIGMLZRUPJYIUMU-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.04
Rot. Bonds2

About 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid

4-(2,4-difluorophenyl)-3-hydroxybenzoic acid (PubChem CID 53225857) has the molecular formula C13H8F2O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
PubChem CID53225857
Molecular FormulaC13H8F2O3
Molecular Weight250.20 g/mol
Exact Mass250.04
IUPAC Name4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C13H8F2O3/c14-8-2-4-9(11(15)6-8)10-3-1-7(13(17)18)5-12(10)16/h1-6,16H,(H,17,18)
InChIKeyIGMLZRUPJYIUMU-UHFFFAOYSA-N
XLogP3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxybenzoic Acid
CID 7420
Diflunisal
CID 3059
Rheinanthrone
CID 119396
2-Hydroxy-4-(trifluoromethyl)benzoic acid
CID 164578
6-Hydroxy-2-naphthoic acid
CID 85557
2-Hydroxychalcone
CID 5367146
2-Hydroxy-p-toluic acid
CID 5788
3-Phenylsalicylic acid
CID 9348
3',5'-Difluorobiphenyl-4-carboxylic acid
CID 5288193
4-(4-Fluorophenyl)benzoic acid
CID 2782689
5-Hydroxy-1-tetralone
CID 119921
2,2',5'-Trihydroxychalcone
CID 5805298

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid (CID 53225857) is 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid is O=C(O)c1ccc(-c2ccc(F)cc2F)c(O)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid?
The InChIKey is IGMLZRUPJYIUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O3/c14-8-2-4-9(11(15)6-8)10-3-1-7(13(17)18)5-12(10)16/h1-6,16H,(H,17,18).
What are the key properties of 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid?
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid has a molecular weight of 250.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-3-hydroxybenzoic acid is sourced from PubChem (CID 53225857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).