phenyl 3-fluoro-2-hydroxybenzoate

C13H9FO3 — CID 13004451

IUPACphenyl 3-fluoro-2-hydroxybenzoate
SMILESO=C(Oc1ccccc1)c1cccc(F)c1O
InChIInChI=1S/C13H9FO3/c14-11-8-4-7-10(12(11)15)13(16)17-9-5-2-1-3-6-9/h1-8,15H
InChIKeyOXMYTNWCZIYLNT-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.75
Rot. Bonds2

About phenyl 3-fluoro-2-hydroxybenzoate

phenyl 3-fluoro-2-hydroxybenzoate (PubChem CID 13004451) has the molecular formula C13H9FO3 and a molecular weight of 232.21 g/mol. Its IUPAC name is phenyl 3-fluoro-2-hydroxybenzoate.

Molecular Properties

Compound Namephenyl 3-fluoro-2-hydroxybenzoate
PubChem CID13004451
Molecular FormulaC13H9FO3
Molecular Weight232.21 g/mol
Exact Mass232.05
IUPAC Namephenyl 3-fluoro-2-hydroxybenzoate
SMILESO=C(Oc1ccccc1)c1cccc(F)c1O
InChIInChI=1S/C13H9FO3/c14-11-8-4-7-10(12(11)15)13(16)17-9-5-2-1-3-6-9/h1-8,15H
InChIKeyOXMYTNWCZIYLNT-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 3-fluoro-2-hydroxybenzoate?
The IUPAC name of phenyl 3-fluoro-2-hydroxybenzoate (CID 13004451) is phenyl 3-fluoro-2-hydroxybenzoate.
What is the SMILES notation for phenyl 3-fluoro-2-hydroxybenzoate?
The canonical SMILES for phenyl 3-fluoro-2-hydroxybenzoate is O=C(Oc1ccccc1)c1cccc(F)c1O.
What is the InChIKey of phenyl 3-fluoro-2-hydroxybenzoate?
The InChIKey is OXMYTNWCZIYLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO3/c14-11-8-4-7-10(12(11)15)13(16)17-9-5-2-1-3-6-9/h1-8,15H.
What are the key properties of phenyl 3-fluoro-2-hydroxybenzoate?
phenyl 3-fluoro-2-hydroxybenzoate has a molecular weight of 232.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-fluoro-2-hydroxybenzoate is sourced from PubChem (CID 13004451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).