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

C20H13FO2 — CID 175444205

IUPAC4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H13FO2/c21-19-11-9-18(10-12-19)20(23)17-7-5-16(6-8-17)15-3-1-14(13-22)2-4-15/h1-13H
InChIKeyRJOAOCDGRXPQQR-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.54
Rot. Bonds4

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

4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde (PubChem CID 175444205) has the molecular formula C20H13FO2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
PubChem CID175444205
Molecular FormulaC20H13FO2
Molecular Weight304.32 g/mol
Exact Mass304.09
IUPAC Name4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H13FO2/c21-19-11-9-18(10-12-19)20(23)17-7-5-16(6-8-17)15-3-1-14(13-22)2-4-15/h1-13H
InChIKeyRJOAOCDGRXPQQR-UHFFFAOYSA-N
XLogP4.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde?
The IUPAC name of 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde (CID 175444205) is 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde?
The InChIKey is RJOAOCDGRXPQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO2/c21-19-11-9-18(10-12-19)20(23)17-7-5-16(6-8-17)15-3-1-14(13-22)2-4-15/h1-13H.
What are the key properties of 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde?
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde has a molecular weight of 304.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde is sourced from PubChem (CID 175444205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).