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

C15H13FO — CID 81446712

IUPAC4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde
SMILESCc1cccc(-c2ccc(C=O)cc2F)c1C
InChIInChI=1S/C15H13FO/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-17)8-15(14)16/h3-9H,1-2H3
InChIKeyWFJRHKNOLJPJNE-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.92
Rot. Bonds2

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

4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde (PubChem CID 81446712) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde
PubChem CID81446712
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde
SMILESCc1cccc(-c2ccc(C=O)cc2F)c1C
InChIInChI=1S/C15H13FO/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-17)8-15(14)16/h3-9H,1-2H3
InChIKeyWFJRHKNOLJPJNE-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde (CID 81446712) is 4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde is Cc1cccc(-c2ccc(C=O)cc2F)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde?
The InChIKey is WFJRHKNOLJPJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-17)8-15(14)16/h3-9H,1-2H3.
What are the key properties of 4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde?
4-(2,3-dimethylphenyl)-3-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-(2,3-dimethylphenyl)-3-fluorobenzaldehyde is sourced from PubChem (CID 81446712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).