[2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate

C20H12F2O4 — CID 91711748

IUPAC[2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate
SMILESO=C(Oc1ccccc1OC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H12F2O4/c21-15-9-5-13(6-10-15)19(23)25-17-3-1-2-4-18(17)26-20(24)14-7-11-16(22)12-8-14/h1-12H
InChIKeyGDHNZIXUFMGKPH-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.40
Rot. Bonds4

About [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate

[2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate (PubChem CID 91711748) has the molecular formula C20H12F2O4 and a molecular weight of 354.31 g/mol. Its IUPAC name is [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate
PubChem CID91711748
Molecular FormulaC20H12F2O4
Molecular Weight354.31 g/mol
Exact Mass354.07
IUPAC Name[2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate
SMILESO=C(Oc1ccccc1OC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H12F2O4/c21-15-9-5-13(6-10-15)19(23)25-17-3-1-2-4-18(17)26-20(24)14-7-11-16(22)12-8-14/h1-12H
InChIKeyGDHNZIXUFMGKPH-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Eugenyl benzoate
CID 62362
Phenyl benzoate
CID 7169
Diphenyl phthalate
CID 6778
2-Methoxyphenyl benzeneacetate
CID 61331
1,3-Bis(benzoyloxy)benzene
CID 66742
Diphenyl isophthalate
CID 69779
p-Cresol benzoate
CID 11962
Wzb117
CID 46830365
2-Methoxyphenyl benzoate
CID 68272
Phenol, 2,6-dimethoxy-, 1-benzoate
CID 270567
Diphenyl terephthalate
CID 73757
Benzoic acid biphenyl-4-yl ester
CID 231743

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate?
The IUPAC name of [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate (CID 91711748) is [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate?
The canonical SMILES for [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate is O=C(Oc1ccccc1OC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate?
The InChIKey is GDHNZIXUFMGKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2O4/c21-15-9-5-13(6-10-15)19(23)25-17-3-1-2-4-18(17)26-20(24)14-7-11-16(22)12-8-14/h1-12H.
What are the key properties of [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate?
[2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate has a molecular weight of 354.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorobenzoyl)oxyphenyl] 4-fluorobenzoate is sourced from PubChem (CID 91711748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).