4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde

C15H13FO — CID 61032850

IUPAC4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
SMILESCc1ccc(C)c(-c2ccc(C=O)c(F)c2)c1
InChIInChI=1S/C15H13FO/c1-10-3-4-11(2)14(7-10)12-5-6-13(9-17)15(16)8-12/h3-9H,1-2H3
InChIKeyWNUADKCZEHPSHG-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.92
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde

4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde (PubChem CID 61032850) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
PubChem CID61032850
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
SMILESCc1ccc(C)c(-c2ccc(C=O)c(F)c2)c1
InChIInChI=1S/C15H13FO/c1-10-3-4-11(2)14(7-10)12-5-6-13(9-17)15(16)8-12/h3-9H,1-2H3
InChIKeyWNUADKCZEHPSHG-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde 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-(2,5-dimethylphenyl)-2-fluorobenzaldehyde?
The IUPAC name of 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde (CID 61032850) is 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde is Cc1ccc(C)c(-c2ccc(C=O)c(F)c2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde?
The InChIKey is WNUADKCZEHPSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-10-3-4-11(2)14(7-10)12-5-6-13(9-17)15(16)8-12/h3-9H,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde?
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde has a molecular weight of 228.27 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 61032850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).