[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate

C24H21FO3 — CID 7931111

IUPAC[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H21FO3/c1-24(2,3)19-10-4-18(5-11-19)23(27)28-21-14-8-17(9-15-21)22(26)16-6-12-20(25)13-7-16/h4-15H,1-3H3
InChIKeyIYKWLFNKSURYBF-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.57
Rot. Bonds4

About [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate

[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate (PubChem CID 7931111) has the molecular formula C24H21FO3 and a molecular weight of 376.43 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate
PubChem CID7931111
Molecular FormulaC24H21FO3
Molecular Weight376.43 g/mol
Exact Mass376.15
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H21FO3/c1-24(2,3)19-10-4-18(5-11-19)23(27)28-21-14-8-17(9-15-21)22(26)16-6-12-20(25)13-7-16/h4-15H,1-3H3
InChIKeyIYKWLFNKSURYBF-UHFFFAOYSA-N
XLogP5.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylphenyl) 4-tert-butylbenzoate;ethane
CID 157202631
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
CID 2713488
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391
phenyl 4-tert-butylbenzoate
CID 733785
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847
[4-(4-methoxybenzoyl)phenyl] 4-(trifluoromethyl)benzoate
CID 101231372
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
(4-propoxycarbonylphenyl) 4-tert-butylbenzoate
CID 4941842
(4-tert-butylphenyl) 4-[[[4-(4-tert-butylphenoxy)carbonylphenyl]-dimethylsilyl]oxy-dimethylsilyl]benzoate
CID 124907910
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate (CID 7931111) is [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate is CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate?
The InChIKey is IYKWLFNKSURYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO3/c1-24(2,3)19-10-4-18(5-11-19)23(27)28-21-14-8-17(9-15-21)22(26)16-6-12-20(25)13-7-16/h4-15H,1-3H3.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate?
[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate has a molecular weight of 376.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate is sourced from PubChem (CID 7931111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).