[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate

C21H15FO3 — CID 2713488

IUPAC[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H15FO3/c1-14-2-4-17(5-3-14)21(24)25-19-12-8-16(9-13-19)20(23)15-6-10-18(22)11-7-15/h2-13H,1H3
InChIKeyJYFPJPPIEOUEIR-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.58
Rot. Bonds4

About [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate

[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate (PubChem CID 2713488) has the molecular formula C21H15FO3 and a molecular weight of 334.35 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
PubChem CID2713488
Molecular FormulaC21H15FO3
Molecular Weight334.35 g/mol
Exact Mass334.10
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H15FO3/c1-14-2-4-17(5-3-14)21(24)25-19-12-8-16(9-13-19)20(23)15-6-10-18(22)11-7-15/h2-13H,1H3
InChIKeyJYFPJPPIEOUEIR-UHFFFAOYSA-N
XLogP4.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.58
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-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate
CID 7931111
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
(4-butoxycarbonylphenyl) 4-(4-methylbenzoyl)benzoate
CID 58757911
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872
[4-[4-(4-fluorobenzoyl)oxyphenyl]sulfanylphenyl] 4-fluorobenzoate
CID 2060863

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate (CID 2713488) is [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate?
The InChIKey is JYFPJPPIEOUEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO3/c1-14-2-4-17(5-3-14)21(24)25-19-12-8-16(9-13-19)20(23)15-6-10-18(22)11-7-15/h2-13H,1H3.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate?
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate has a molecular weight of 334.35 g/mol, XLogP of 4.58, 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-methylbenzoate is sourced from PubChem (CID 2713488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).