2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine

C28H34FNO2 — CID 143394531

IUPAC2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C=O)c(F)c2)cc1.COCCc1ccccn1
InChIInChI=1S/C20H23FO.C8H11NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-13-19(15-22)20(21)14-18;1-10-7-5-8-4-2-3-6-9-8/h8-15H,2-7H2,1H3;2-4,6H,5,7H2,1H3
InChIKeyBVVUJWIHZBKSTJ-UHFFFAOYSA-N
MW435.58 g/mol
LogP7.09
Rot. Bonds11

About 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine

2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine (PubChem CID 143394531) has the molecular formula C28H34FNO2 and a molecular weight of 435.58 g/mol. Its IUPAC name is 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine
PubChem CID143394531
Molecular FormulaC28H34FNO2
Molecular Weight435.58 g/mol
Exact Mass435.26
IUPAC Name2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C=O)c(F)c2)cc1.COCCc1ccccn1
InChIInChI=1S/C20H23FO.C8H11NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-13-19(15-22)20(21)14-18;1-10-7-5-8-4-2-3-6-9-8/h8-15H,2-7H2,1H3;2-4,6H,5,7H2,1H3
InChIKeyBVVUJWIHZBKSTJ-UHFFFAOYSA-N
XLogP7.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.58
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine?
The IUPAC name of 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine (CID 143394531) is 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine.
What is the SMILES notation for 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine?
The canonical SMILES for 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine is CCCCCCCc1ccc(-c2ccc(C=O)c(F)c2)cc1.COCCc1ccccn1.
What is the InChIKey of 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine?
The InChIKey is BVVUJWIHZBKSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO.C8H11NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-13-19(15-22)20(21)14-18;1-10-7-5-8-4-2-3-6-9-8/h8-15H,2-7H2,1H3;2-4,6H,5,7H2,1H3.
What are the key properties of 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine?
2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine has a molecular weight of 435.58 g/mol, XLogP of 7.09, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine is sourced from PubChem (CID 143394531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).