(4-fluorophenyl) 4-benzoyloxybenzoate

C20H13FO4 — CID 20782791

IUPAC(4-fluorophenyl) 4-benzoyloxybenzoate
SMILESO=C(Oc1ccc(C(=O)Oc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H13FO4/c21-16-8-12-18(13-9-16)25-20(23)15-6-10-17(11-7-15)24-19(22)14-4-2-1-3-5-14/h1-13H
InChIKeyOVQYYLZZGVJYGX-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.26
Rot. Bonds4

About (4-fluorophenyl) 4-benzoyloxybenzoate

(4-fluorophenyl) 4-benzoyloxybenzoate (PubChem CID 20782791) has the molecular formula C20H13FO4 and a molecular weight of 336.32 g/mol. Its IUPAC name is (4-fluorophenyl) 4-benzoyloxybenzoate.

Molecular Properties

Compound Name(4-fluorophenyl) 4-benzoyloxybenzoate
PubChem CID20782791
Molecular FormulaC20H13FO4
Molecular Weight336.32 g/mol
Exact Mass336.08
IUPAC Name(4-fluorophenyl) 4-benzoyloxybenzoate
SMILESO=C(Oc1ccc(C(=O)Oc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H13FO4/c21-16-8-12-18(13-9-16)25-20(23)15-6-10-17(11-7-15)24-19(22)14-4-2-1-3-5-14/h1-13H
InChIKeyOVQYYLZZGVJYGX-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl) 4-benzoyloxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
[4-[4-(4-fluorobenzoyl)oxyphenyl]sulfanylphenyl] 4-fluorobenzoate
CID 2060863
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
CID 2713488
(4-fluorophenyl) phenyl carbonate
CID 555788
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate
CID 7931111
(3-carbamoylphenyl) 4-fluorobenzoate
CID 47175809
formaldehyde;(4-methylphenyl) benzoate
CID 143467602

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 4-benzoyloxybenzoate?
The IUPAC name of (4-fluorophenyl) 4-benzoyloxybenzoate (CID 20782791) is (4-fluorophenyl) 4-benzoyloxybenzoate.
What is the SMILES notation for (4-fluorophenyl) 4-benzoyloxybenzoate?
The canonical SMILES for (4-fluorophenyl) 4-benzoyloxybenzoate is O=C(Oc1ccc(C(=O)Oc2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl) 4-benzoyloxybenzoate?
The InChIKey is OVQYYLZZGVJYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO4/c21-16-8-12-18(13-9-16)25-20(23)15-6-10-17(11-7-15)24-19(22)14-4-2-1-3-5-14/h1-13H.
What are the key properties of (4-fluorophenyl) 4-benzoyloxybenzoate?
(4-fluorophenyl) 4-benzoyloxybenzoate has a molecular weight of 336.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 4-benzoyloxybenzoate is sourced from PubChem (CID 20782791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).