2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde

C16H15FO — CID 19004465

IUPAC2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde
SMILESCC(C)c1cccc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H15FO/c1-11(2)14-4-3-5-15(16(14)10-18)12-6-8-13(17)9-7-12/h3-11H,1-2H3
InChIKeyIOJVSZYXHHNXIC-UHFFFAOYSA-N
MW242.29 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde

2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde (PubChem CID 19004465) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde
PubChem CID19004465
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde
SMILESCC(C)c1cccc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H15FO/c1-11(2)14-4-3-5-15(16(14)10-18)12-6-8-13(17)9-7-12/h3-11H,1-2H3
InChIKeyIOJVSZYXHHNXIC-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde 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 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde (CID 19004465) is 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde is CC(C)c1cccc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde?
The InChIKey is IOJVSZYXHHNXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-11(2)14-4-3-5-15(16(14)10-18)12-6-8-13(17)9-7-12/h3-11H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde?
2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde has a molecular weight of 242.29 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde is sourced from PubChem (CID 19004465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).