(3-fluorophenyl) 3-hydroxybenzoate

C13H9FO3 — CID 174105662

IUPAC(3-fluorophenyl) 3-hydroxybenzoate
SMILESO=C(Oc1cccc(F)c1)c1cccc(O)c1
InChIInChI=1S/C13H9FO3/c14-10-4-2-6-12(8-10)17-13(16)9-3-1-5-11(15)7-9/h1-8,15H
InChIKeyICTVMWVVSHDBIE-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.75
Rot. Bonds2

About (3-fluorophenyl) 3-hydroxybenzoate

(3-fluorophenyl) 3-hydroxybenzoate (PubChem CID 174105662) has the molecular formula C13H9FO3 and a molecular weight of 232.21 g/mol. Its IUPAC name is (3-fluorophenyl) 3-hydroxybenzoate.

Molecular Properties

Compound Name(3-fluorophenyl) 3-hydroxybenzoate
PubChem CID174105662
Molecular FormulaC13H9FO3
Molecular Weight232.21 g/mol
Exact Mass232.05
IUPAC Name(3-fluorophenyl) 3-hydroxybenzoate
SMILESO=C(Oc1cccc(F)c1)c1cccc(O)c1
InChIInChI=1S/C13H9FO3/c14-10-4-2-6-12(8-10)17-13(16)9-3-1-5-11(15)7-9/h1-8,15H
InChIKeyICTVMWVVSHDBIE-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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Related Compounds

[4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
CID 46884130
(3-fluorophenyl) 3-nitrobenzoate
CID 4812693
(3-acetamidophenyl) 3-fluorobenzoate
CID 8007869
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
CID 66771976
difluoromethyl 3-hydroxybenzenecarboperoxoate
CID 118471744
(3-fluorophenyl) 4-butylbenzoate
CID 91723741
methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate
CID 8911360
(3-carbamoylphenyl) 4-fluorobenzoate
CID 47175809
[3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350341
(3-fluorophenyl) prop-2-enoate
CID 21098293
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) 3-hydroxybenzoate?
The IUPAC name of (3-fluorophenyl) 3-hydroxybenzoate (CID 174105662) is (3-fluorophenyl) 3-hydroxybenzoate.
What is the SMILES notation for (3-fluorophenyl) 3-hydroxybenzoate?
The canonical SMILES for (3-fluorophenyl) 3-hydroxybenzoate is O=C(Oc1cccc(F)c1)c1cccc(O)c1.
What is the InChIKey of (3-fluorophenyl) 3-hydroxybenzoate?
The InChIKey is ICTVMWVVSHDBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO3/c14-10-4-2-6-12(8-10)17-13(16)9-3-1-5-11(15)7-9/h1-8,15H.
What are the key properties of (3-fluorophenyl) 3-hydroxybenzoate?
(3-fluorophenyl) 3-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 (3-fluorophenyl) 3-hydroxybenzoate is sourced from PubChem (CID 174105662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).