5-(2,4-difluorophenyl)-2-hydroxybenzoic acid

C13H8F2O3 — CID 3059

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IUPAC5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChIKeyHUPFGZXOMWLGNK-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.04
Rot. Bonds2

About 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid

5-(2,4-difluorophenyl)-2-hydroxybenzoic acid (PubChem CID 3059) has the molecular formula C13H8F2O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
PubChem CID3059
Molecular FormulaC13H8F2O3
Molecular Weight250.20 g/mol
Exact Mass250.04
IUPAC Name5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChIKeyHUPFGZXOMWLGNK-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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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid (CID 3059) is 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid is O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid?
The InChIKey is HUPFGZXOMWLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18).
What are the key properties of 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid?
5-(2,4-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 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 3059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).