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

C15H13FO — CID 22566637

IUPAC5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde
SMILESCc1ccc(-c2ccc(F)c(C=O)c2)cc1C
InChIInChI=1S/C15H13FO/c1-10-3-4-12(7-11(10)2)13-5-6-15(16)14(8-13)9-17/h3-9H,1-2H3
InChIKeyOCGIMHGHNOVCPV-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.92
Rot. Bonds2

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

5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde (PubChem CID 22566637) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde
PubChem CID22566637
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde
SMILESCc1ccc(-c2ccc(F)c(C=O)c2)cc1C
InChIInChI=1S/C15H13FO/c1-10-3-4-12(7-11(10)2)13-5-6-15(16)14(8-13)9-17/h3-9H,1-2H3
InChIKeyOCGIMHGHNOVCPV-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 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde (CID 22566637) is 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde is Cc1ccc(-c2ccc(F)c(C=O)c2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde?
The InChIKey is OCGIMHGHNOVCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-10-3-4-12(7-11(10)2)13-5-6-15(16)14(8-13)9-17/h3-9H,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde?
5-(3,4-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 5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 22566637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).