4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde

C22H19NO2 — CID 87864449

IUPAC4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCN2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C22H19NO2/c24-16-17-9-11-20(12-10-17)25-14-13-23-21-7-3-1-5-18(21)15-19-6-2-4-8-22(19)23/h1-12,16H,13-15H2
InChIKeyKCVUTCLBRAHPTD-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.62
Rot. Bonds5

About 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde

4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde (PubChem CID 87864449) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde
PubChem CID87864449
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCN2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C22H19NO2/c24-16-17-9-11-20(12-10-17)25-14-13-23-21-7-3-1-5-18(21)15-19-6-2-4-8-22(19)23/h1-12,16H,13-15H2
InChIKeyKCVUTCLBRAHPTD-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
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-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde?
The IUPAC name of 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde (CID 87864449) is 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde is O=Cc1ccc(OCCN2c3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde?
The InChIKey is KCVUTCLBRAHPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-16-17-9-11-20(12-10-17)25-14-13-23-21-7-3-1-5-18(21)15-19-6-2-4-8-22(19)23/h1-12,16H,13-15H2.
What are the key properties of 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde?
4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde has a molecular weight of 329.40 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-acridin-10-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 87864449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).