9-(4-ethoxyphenyl)acridine

C21H17NO — CID 18966036

IUPAC9-(4-ethoxyphenyl)acridine
SMILESCCOc1ccc(-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C21H17NO/c1-2-23-16-13-11-15(12-14-16)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21/h3-14H,2H2,1H3
InChIKeyHANIQCCYEOXWSU-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.45
Rot. Bonds3

About 9-(4-ethoxyphenyl)acridine

9-(4-ethoxyphenyl)acridine (PubChem CID 18966036) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 9-(4-ethoxyphenyl)acridine.

Molecular Properties

Compound Name9-(4-ethoxyphenyl)acridine
PubChem CID18966036
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name9-(4-ethoxyphenyl)acridine
SMILESCCOc1ccc(-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C21H17NO/c1-2-23-16-13-11-15(12-14-16)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21/h3-14H,2H2,1H3
InChIKeyHANIQCCYEOXWSU-UHFFFAOYSA-N
XLogP5.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(4-ethoxyphenyl)acridine?
The IUPAC name of 9-(4-ethoxyphenyl)acridine (CID 18966036) is 9-(4-ethoxyphenyl)acridine.
What is the SMILES notation for 9-(4-ethoxyphenyl)acridine?
The canonical SMILES for 9-(4-ethoxyphenyl)acridine is CCOc1ccc(-c2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 9-(4-ethoxyphenyl)acridine?
The InChIKey is HANIQCCYEOXWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-2-23-16-13-11-15(12-14-16)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21/h3-14H,2H2,1H3.
What are the key properties of 9-(4-ethoxyphenyl)acridine?
9-(4-ethoxyphenyl)acridine has a molecular weight of 299.37 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethoxyphenyl)acridine is sourced from PubChem (CID 18966036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).