1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone

C21H14ClNO2 — CID 11089338

IUPAC1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2c3ccccc3nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C21H14ClNO2/c1-13(24)14-6-9-16(10-7-14)25-21-17-4-2-3-5-19(17)23-20-11-8-15(22)12-18(20)21/h2-12H,1H3
InChIKeyGLODSPPOFFLIDM-UHFFFAOYSA-N
MW347.80 g/mol
LogP6.04
Rot. Bonds3

About 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone

1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone (PubChem CID 11089338) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone
PubChem CID11089338
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2c3ccccc3nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C21H14ClNO2/c1-13(24)14-6-9-16(10-7-14)25-21-17-4-2-3-5-19(17)23-20-11-8-15(22)12-18(20)21/h2-12H,1H3
InChIKeyGLODSPPOFFLIDM-UHFFFAOYSA-N
XLogP6.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.80
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone (CID 11089338) is 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone is CC(=O)c1ccc(Oc2c3ccccc3nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone?
The InChIKey is GLODSPPOFFLIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c1-13(24)14-6-9-16(10-7-14)25-21-17-4-2-3-5-19(17)23-20-11-8-15(22)12-18(20)21/h2-12H,1H3.
What are the key properties of 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone?
1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone has a molecular weight of 347.80 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloroacridin-9-yl)oxyphenyl]ethanone is sourced from PubChem (CID 11089338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).