3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde

C15H13FO — CID 61033101

IUPAC3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
SMILESCc1ccc(C)c(-c2cc(C=O)ccc2F)c1
InChIInChI=1S/C15H13FO/c1-10-3-4-11(2)13(7-10)14-8-12(9-17)5-6-15(14)16/h3-9H,1-2H3
InChIKeyXNMFFAWBODJLEN-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.92
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde

3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde (PubChem CID 61033101) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
PubChem CID61033101
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
SMILESCc1ccc(C)c(-c2cc(C=O)ccc2F)c1
InChIInChI=1S/C15H13FO/c1-10-3-4-11(2)13(7-10)14-8-12(9-17)5-6-15(14)16/h3-9H,1-2H3
InChIKeyXNMFFAWBODJLEN-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'}

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Related Compounds

3-(2,4-difluoro-5-methylphenyl)-4-methylbenzaldehyde
CID 105409734
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde
CID 172650140
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850
4-fluoro-3-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240453
3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610
4-fluoro-3-(5-methylthiophen-3-yl)benzaldehyde
CID 65100507
4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde
CID 89139648
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde (CID 61033101) is 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde is Cc1ccc(C)c(-c2cc(C=O)ccc2F)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde?
The InChIKey is XNMFFAWBODJLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-10-3-4-11(2)13(7-10)14-8-12(9-17)5-6-15(14)16/h3-9H,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde?
3-(2,5-dimethylphenyl)-4-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 3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde is sourced from PubChem (CID 61033101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).