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

C13H8F2O3 — CID 53225879

IUPAC4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)c(F)c2)cc1O
InChIInChI=1S/C13H8F2O3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,16H,(H,17,18)
InChIKeyPKXXFGRNOKAQEP-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.04
Rot. Bonds2

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

4-(3,4-difluorophenyl)-2-hydroxybenzoic acid (PubChem CID 53225879) has the molecular formula C13H8F2O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
PubChem CID53225879
Molecular FormulaC13H8F2O3
Molecular Weight250.20 g/mol
Exact Mass250.04
IUPAC Name4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)c(F)c2)cc1O
InChIInChI=1S/C13H8F2O3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,16H,(H,17,18)
InChIKeyPKXXFGRNOKAQEP-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

Analyze 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid (CID 53225879) is 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid is O=C(O)c1ccc(-c2ccc(F)c(F)c2)cc1O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid?
The InChIKey is PKXXFGRNOKAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,16H,(H,17,18).
What are the key properties of 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid?
4-(3,4-difluorophenyl)-2-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-(3,4-difluorophenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 53225879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).