(2-hydroxyphenyl) 4-fluorobenzoate

C13H9FO3 — CID 91711747

IUPAC(2-hydroxyphenyl) 4-fluorobenzoate
SMILESO=C(Oc1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C13H9FO3/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h1-8,15H
InChIKeyCIBLBBPTTYGGGH-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.75
Rot. Bonds2

About (2-hydroxyphenyl) 4-fluorobenzoate

(2-hydroxyphenyl) 4-fluorobenzoate (PubChem CID 91711747) has the molecular formula C13H9FO3 and a molecular weight of 232.21 g/mol. Its IUPAC name is (2-hydroxyphenyl) 4-fluorobenzoate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 4-fluorobenzoate
PubChem CID91711747
Molecular FormulaC13H9FO3
Molecular Weight232.21 g/mol
Exact Mass232.05
IUPAC Name(2-hydroxyphenyl) 4-fluorobenzoate
SMILESO=C(Oc1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C13H9FO3/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h1-8,15H
InChIKeyCIBLBBPTTYGGGH-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

(2-cyanophenyl) 4-fluorobenzoate
CID 7934940
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
(2-hydroxyphenyl) 4-prop-2-enylbenzoate
CID 67917162
(2,3-dimethylphenyl) 4-fluorobenzoate
CID 837549
[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350326
(2-carbonazidoylphenyl) 4-fluorobenzoate
CID 24938769
[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
(2,5-dimethylphenyl) 4-fluorobenzoate
CID 837736
bis(2-bromo-4-fluorophenyl) benzene-1,4-dicarboxylate
CID 91742491
(5-hydroxynaphthalen-1-yl) benzoate
CID 646429
fluoro 4-fluorobenzoate
CID 145480473

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 4-fluorobenzoate?
The IUPAC name of (2-hydroxyphenyl) 4-fluorobenzoate (CID 91711747) is (2-hydroxyphenyl) 4-fluorobenzoate.
What is the SMILES notation for (2-hydroxyphenyl) 4-fluorobenzoate?
The canonical SMILES for (2-hydroxyphenyl) 4-fluorobenzoate is O=C(Oc1ccccc1O)c1ccc(F)cc1.
What is the InChIKey of (2-hydroxyphenyl) 4-fluorobenzoate?
The InChIKey is CIBLBBPTTYGGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO3/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h1-8,15H.
What are the key properties of (2-hydroxyphenyl) 4-fluorobenzoate?
(2-hydroxyphenyl) 4-fluorobenzoate 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 (2-hydroxyphenyl) 4-fluorobenzoate is sourced from PubChem (CID 91711747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).