4-[2-(4-fluorophenyl)acetyl]benzaldehyde

C15H11FO2 — CID 82117645

IUPAC4-[2-(4-fluorophenyl)acetyl]benzaldehyde
SMILESO=Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FO2/c16-14-7-3-11(4-8-14)9-15(18)13-5-1-12(10-17)2-6-13/h1-8,10H,9H2
InChIKeyRCSNDVFBSUZVNE-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.06
Rot. Bonds4

About 4-[2-(4-fluorophenyl)acetyl]benzaldehyde

4-[2-(4-fluorophenyl)acetyl]benzaldehyde (PubChem CID 82117645) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)acetyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)acetyl]benzaldehyde
PubChem CID82117645
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name4-[2-(4-fluorophenyl)acetyl]benzaldehyde
SMILESO=Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FO2/c16-14-7-3-11(4-8-14)9-15(18)13-5-1-12(10-17)2-6-13/h1-8,10H,9H2
InChIKeyRCSNDVFBSUZVNE-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(4-fluorophenyl)acetyl]benzaldehyde 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

2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019
ethane-1,2-diol;4-fluorobenzaldehyde
CID 175223595
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205
1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 46881771
2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone
CID 66245946
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
benzoic acid;4-fluorobenzaldehyde
CID 159074063
1-[4-(hydroxymethyl)phenyl]pentane-1,4-dione;4-(4-oxopentanoyl)benzaldehyde
CID 158398073
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)acetyl]benzaldehyde?
The IUPAC name of 4-[2-(4-fluorophenyl)acetyl]benzaldehyde (CID 82117645) is 4-[2-(4-fluorophenyl)acetyl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-fluorophenyl)acetyl]benzaldehyde?
The canonical SMILES for 4-[2-(4-fluorophenyl)acetyl]benzaldehyde is O=Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)acetyl]benzaldehyde?
The InChIKey is RCSNDVFBSUZVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-14-7-3-11(4-8-14)9-15(18)13-5-1-12(10-17)2-6-13/h1-8,10H,9H2.
What are the key properties of 4-[2-(4-fluorophenyl)acetyl]benzaldehyde?
4-[2-(4-fluorophenyl)acetyl]benzaldehyde has a molecular weight of 242.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)acetyl]benzaldehyde is sourced from PubChem (CID 82117645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).