4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde

C19H20FNO2 — CID 89195233

IUPAC4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde
SMILESO=Cc1ccc(OC2CCCCC2)cc1Nc1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c20-15-7-9-16(10-8-15)21-19-12-18(11-6-14(19)13-22)23-17-4-2-1-3-5-17/h6-13,17,21H,1-5H2
InChIKeyUQAPZLGIDYXZBT-UHFFFAOYSA-N
MW313.37 g/mol
LogP5.09
Rot. Bonds5

About 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde

4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde (PubChem CID 89195233) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde.

Molecular Properties

Compound Name4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde
PubChem CID89195233
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde
SMILESO=Cc1ccc(OC2CCCCC2)cc1Nc1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c20-15-7-9-16(10-8-15)21-19-12-18(11-6-14(19)13-22)23-17-4-2-1-3-5-17/h6-13,17,21H,1-5H2
InChIKeyUQAPZLGIDYXZBT-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde?
The IUPAC name of 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde (CID 89195233) is 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde.
What is the SMILES notation for 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde?
The canonical SMILES for 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde is O=Cc1ccc(OC2CCCCC2)cc1Nc1ccc(F)cc1.
What is the InChIKey of 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde?
The InChIKey is UQAPZLGIDYXZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-15-7-9-16(10-8-15)21-19-12-18(11-6-14(19)13-22)23-17-4-2-1-3-5-17/h6-13,17,21H,1-5H2.
What are the key properties of 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde?
4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde has a molecular weight of 313.37 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde is sourced from PubChem (CID 89195233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).