4-(4-fluorobenzoyl)oxybenzoic acid

C14H9FO4 — CID 54854967

IUPAC4-(4-fluorobenzoyl)oxybenzoic acid
SMILESO=C(O)c1ccc(OC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H9FO4/c15-11-5-1-10(2-6-11)14(18)19-12-7-3-9(4-8-12)13(16)17/h1-8H,(H,16,17)
InChIKeyLEGQNARGYRHTGR-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.74
Rot. Bonds3

About 4-(4-fluorobenzoyl)oxybenzoic acid

4-(4-fluorobenzoyl)oxybenzoic acid (PubChem CID 54854967) has the molecular formula C14H9FO4 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)oxybenzoic acid
PubChem CID54854967
Molecular FormulaC14H9FO4
Molecular Weight260.22 g/mol
Exact Mass260.05
IUPAC Name4-(4-fluorobenzoyl)oxybenzoic acid
SMILESO=C(O)c1ccc(OC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H9FO4/c15-11-5-1-10(2-6-11)14(18)19-12-7-3-9(4-8-12)13(16)17/h1-8H,(H,16,17)
InChIKeyLEGQNARGYRHTGR-UHFFFAOYSA-N
XLogP2.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.74
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-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
[4-[4-(4-fluorobenzoyl)oxyphenyl]sulfanylphenyl] 4-fluorobenzoate
CID 2060863
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
4-[4-(4-aminophenoxy)carbonylbenzoyl]oxybenzoic acid
CID 163886316
4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095
[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate
CID 7931111
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
CID 2713488
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
4-[4-(hydroxymethyl)benzoyl]oxybenzoic acid
CID 89257139
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
4-[(E)-3-(4-fluorophenoxy)-3-oxoprop-1-enyl]benzoic acid
CID 142730477

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)oxybenzoic acid?
The IUPAC name of 4-(4-fluorobenzoyl)oxybenzoic acid (CID 54854967) is 4-(4-fluorobenzoyl)oxybenzoic acid.
What is the SMILES notation for 4-(4-fluorobenzoyl)oxybenzoic acid?
The canonical SMILES for 4-(4-fluorobenzoyl)oxybenzoic acid is O=C(O)c1ccc(OC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorobenzoyl)oxybenzoic acid?
The InChIKey is LEGQNARGYRHTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO4/c15-11-5-1-10(2-6-11)14(18)19-12-7-3-9(4-8-12)13(16)17/h1-8H,(H,16,17).
What are the key properties of 4-(4-fluorobenzoyl)oxybenzoic acid?
4-(4-fluorobenzoyl)oxybenzoic acid has a molecular weight of 260.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)oxybenzoic acid is sourced from PubChem (CID 54854967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).