2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride

C11H15FO — CID 167684728

IUPAC2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
SMILESCCc1ccc(C)cc1CC=O.F
InChIInChI=1S/C11H14O.FH/c1-3-10-5-4-9(2)8-11(10)6-7-12;/h4-5,7-8H,3,6H2,1-2H3;1H
InChIKeyWAYUNWYQHWEIRR-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride

2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride (PubChem CID 167684728) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride.

Molecular Properties

Compound Name2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
PubChem CID167684728
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
SMILESCCc1ccc(C)cc1CC=O.F
InChIInChI=1S/C11H14O.FH/c1-3-10-5-4-9(2)8-11(10)6-7-12;/h4-5,7-8H,3,6H2,1-2H3;1H
InChIKeyWAYUNWYQHWEIRR-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.45
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 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride?
The IUPAC name of 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride (CID 167684728) is 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride.
What is the SMILES notation for 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride?
The canonical SMILES for 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride is CCc1ccc(C)cc1CC=O.F.
What is the InChIKey of 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride?
The InChIKey is WAYUNWYQHWEIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.FH/c1-3-10-5-4-9(2)8-11(10)6-7-12;/h4-5,7-8H,3,6H2,1-2H3;1H.
What are the key properties of 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride?
2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride has a molecular weight of 182.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride is sourced from PubChem (CID 167684728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).